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3-(cyclopropylmethoxy)-N-(3,5-dichloro-4-pyridyl)-4-(difluoromethoxy)benzamide
3-(cyclopropylmethoxy)-N-(3,5-dichloro-4-pyridyl)-4-(difluoromethoxy)benzamide ID: AN-552
CAS:162401-32-3
Supplier:AN PharmaTech Co Ltd

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SMILES:Clc1c(NC(=O)c2cc(OCC3CC3)c(OC(F)F)cc2)c(Cl)cnc1	449193
FORMULA: C17H14Cl2F2N2O3
MASS: 403.2075
EXACT MASS: 402.0349541
INTERATOMIC DISTANCES

             Cl   1     Cl   2      F   3      F   4      O   5      O   6
              ------------------------------------------------------------------
  Cl   1    0.0000 
  Cl   2    3.4641     0.0000 
   F   3    7.2111     7.2111     0.0000 
   F   4    6.0828     5.5678     1.7321     0.0000 
   O   5    4.5826     6.2450     3.6056     3.6056     0.0000 
   O   6    5.5678     6.0828     1.7320     1.7321     2.0000     0.0000 
   O   7    1.0000     3.6055     6.2450     5.1962     3.6056     4.5826 
   N   8    2.0000     2.0000     6.0000     4.5826     4.3589     4.5826 
   N   9    2.6457     2.6458     9.0000     7.5498     7.0000     7.5498 
   C  10    5.1962     7.5499     5.0000     5.2915     1.7320     3.6055 
   C  11    5.7616     8.3740     5.8873     6.2764     2.7320     4.5747 
   C  12    6.1961     8.4768     5.0990     5.6978     2.3941     3.9664 
   C  13    4.3589     6.5575     4.5826     4.5826     1.0000     3.0000 
   C  14    4.0000     5.2915     3.4641     3.0000     1.0001     1.7320 
   C  15    4.5826     5.1962     2.6457     2.0000     1.7321     1.0000 
   C  16    3.0000     4.5826     4.3589     3.6056     1.7321     2.6457 
   C  17    2.6457     3.6056     4.5826     3.4641     2.6458     3.0000 
   C  18    4.3589     4.3589     3.0000     1.7321     2.6458     1.7320 
   C  19    3.4641     3.4641     4.0000     2.6458     3.0000     2.6457 
   C  20    1.7320     3.0000     5.5678     4.3589     3.4641     4.0000 
   C  21    1.7320     1.7321     7.0000     5.5678     5.1962     5.5678 
   C  22    6.2450     6.2450     1.0000     1.0001     3.0000     1.0000 
   C  23    1.0000     2.6458     7.5498     6.2450     5.2915     6.0000 
   C  24    2.6458     1.0000     7.5498     6.0000     6.0828     6.2450 
   C  25    1.7320     3.0000     8.5440     7.2111     6.2450     7.0000 
   C  26    3.0000     1.7320     8.5440     7.0000     6.9283     7.2111 
   H  27    4.7779     7.3444     5.4561     5.5902     1.9850     3.9616 
   H  28    5.3722     8.1569     6.2646     6.5064     2.9046     4.8472 
   H  29    6.2993     8.9803     6.3399     6.8244     3.3214     5.1078 
   H  30    6.7822     9.0969     5.4470     6.1769     2.9878     4.4470 
   H  31    6.3333     8.3836     4.5269     5.2279     2.1648     3.4991 
   H  32    3.7688     5.9534     4.6339     4.3998     1.0812     2.9561 
   H  33    4.1189     6.6126     5.1957     5.1246     1.5967     3.5889 
   H  34    2.7431     4.8213     4.8708     4.2101     1.8397     3.1408 
   H  35    4.8708     4.4726     2.7431     1.2347     3.1409     1.8397 
   H  36    3.5192     2.9435     4.3433     2.8292     3.6201     3.1408 
   H  37    2.6200     1.7732     5.7153     4.2029     4.4727     4.4187 
   H  38    5.6519     5.6520     1.6200     0.8744     2.7431     0.8743 
   H  39    1.8397     3.6200     8.9210     7.6540     6.4222     7.3297 
   H  40    3.6200     1.8397     8.9210     7.3297     7.4716     7.6540 

              O   7      N   8      N   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   O   7    0.0000 
   N   8    1.7320     0.0000 
   N   9    3.4641     3.0000     0.0000 
   C  10    4.3589     5.5677     7.8102     0.0000 
   C  11    5.0196     6.3765     8.4059     1.0000     0.0000 
   C  12    5.3535     6.5109     8.8084     1.0000     1.0000     0.0000 
   C  13    3.4641     4.5826     6.9282     1.0000     1.9318     1.9318 
   C  14    3.0000     3.4641     6.2450     2.6458     3.6327     3.3859 
   C  15    3.6055     3.6055     6.5574     3.4641     4.4641     4.0576 
   C  16    2.0000     2.6457     5.2915     3.0000     3.8982     3.8982 
   C  17    1.7320     1.7320     4.5826     4.0000     4.8916     4.8916 
   C  18    3.4641     3.0000     6.0000     4.3589     5.3535     5.0195 
   C  19    2.6457     2.0000     5.0000     4.5826     5.5371     5.3785 
   C  20    1.0000     1.0000     3.6055     4.5826     5.3785     5.5372 
   C  21    2.0000     1.0000     2.0000     6.2450     6.9757     7.2197 
   C  22    5.2915     5.0000     8.0000     4.5826     5.5371     4.8715 
   C  23    1.7320     1.7320     1.7320     6.0828     6.7028     7.0798 
   C  24    3.0000     1.7321     1.7321     7.2111     7.9620     8.1766 
   C  25    2.6457     2.6457     1.0000     6.9282     7.4785     7.9282 
   C  26    3.6056     2.6458     1.0001     7.9373     8.6251     8.9212 
   H  27    4.0033     5.3462     7.4154     0.6200     1.0312     1.5037 
   H  28    4.6991     6.1578     8.0159     1.2648     0.6200     1.5968 
   H  29    5.5908     6.9813     8.9449     1.5967     0.6200     1.2648 
   H  30    5.9555     7.1306     9.4039     1.5968     1.2648     0.6201 
   H  31    5.4389     6.4551     8.9026     1.2648     1.5968     0.6201 
   H  32    2.8555     3.9715     6.3185     1.5968     2.4656     2.5501 
   H  33    3.3038     4.6147     6.7413     1.0813     1.7619     2.0797 
   H  34    1.7733     2.8292     5.2100     2.7430     3.5562     3.7041 
   H  35    4.0130     3.3533     6.3328     4.8708     5.8702     5.4700 
   H  36    2.8292     1.7733     4.7206     5.1928     6.1399     5.9972 
   H  37    2.2901     0.6201     3.3533     5.8193     6.6782     6.7273 
   H  38    4.7100     4.3800     7.3800     4.4186     5.4023     4.8301 
   H  39    2.8292     3.1407     1.4157     6.9559     7.4323     7.9524 
   H  40    4.2100     3.1408     1.4158     8.5255     9.2277     9.5051 

              C  13      C  14      C  15      C  16      C  17      C  18
              ------------------------------------------------------------------
   C  13    0.0000 
   C  14    1.7321     0.0000 
   C  15    2.6458     1.0000     0.0000 
   C  16    2.0000     1.0000     1.7320     0.0000 
   C  17    3.0000     1.7320     2.0000     1.0000     0.0000 
   C  18    3.4641     1.7320     1.0000     2.0000     1.7320     0.0000 
   C  19    3.6055     2.0000     1.7320     1.7320     1.0000     1.0000 
   C  20    3.6056     2.6457     3.0000     1.7320     1.0000     2.6457 
   C  21    5.2915     4.3589     4.5826     3.4641     2.6457     4.0000 
   C  22    4.0000     2.6457     1.7320     3.4641     3.6055     2.0000 
   C  23    5.1962     4.5826     5.0000     3.6055     3.0000     4.5826 
   C  24    6.2450     5.1962     5.2915     4.3589     3.4641     4.5826 
   C  25    6.0828     5.5678     6.0000     4.5826     4.0000     5.5678 
   C  26    7.0000     6.0828     6.2450     5.1962     4.3589     5.5678 
   H  27    1.0313     2.7604     3.6737     2.9020     3.8860     4.4917 
   H  28    1.9768     3.7075     4.6124     3.8110     4.7783     5.4389 
   H  29    2.5500     4.2409     5.0512     4.5177     5.5102     5.9554 
   H  30    2.5501     3.9851     4.6157     4.5177     5.5103     5.5909 
   H  31    1.9768     3.1614     3.7112     3.8110     4.7782     4.6990 
   H  32    0.6201     1.4156     2.4059     1.4331     2.4266     3.1021 
   H  33    0.6200     2.1829     3.1512     2.1943     3.1671     3.8917 
   H  34    1.7732     1.4158     2.2901     0.6201     1.4158     2.6200 
   H  35    4.0131     2.2901     1.4158     2.6200     2.2901     0.6201 
   H  36    4.2101     2.6200     2.2901     2.2901     1.4158     1.4158 
   H  37    4.8213     3.5192     3.4849     2.8292     1.8397     2.7431 
   H  38    3.7289     2.2145     1.2346     2.9435     3.0074     1.3800 
   H  39    6.1648     5.8193     6.3328     4.8212     4.3433     5.9770 
   H  40    7.5792     6.6018     6.7056     5.7415     4.8708     5.9770 

              C  19      C  20      C  21      C  22      C  23      C  24
              ------------------------------------------------------------------
   C  19    0.0000 
   C  20    1.7320     0.0000 
   C  21    3.0000     1.7320     0.0000 
   C  22    3.0000     4.5826     6.0000     0.0000 
   C  23    3.6055     2.0000     1.0000     6.5574     0.0000 
   C  24    3.6056     2.6458     1.0001     6.5574     1.7321     0.0000 
   C  25    4.5826     3.0000     1.7320     7.5498     1.0000     2.0000 
   C  26    4.5826     3.4641     1.7321     7.5498     2.0000     1.0000 
   H  27    4.5801     4.3478     5.9485     4.9569     5.7015     6.9328 
   H  28    5.5101     5.1585     6.6856     5.8330     6.3378     7.6815 
   H  29    6.1556     5.9822     7.5606     6.0514     7.2549     8.5509 
   H  30    5.9822     6.1557     7.8342     5.3103     7.6779     8.7937 
   H  31    5.1585     5.5100     7.2248     4.3615     7.1707     8.1551 
   H  32    3.1101     2.9897     4.6715     3.9399     4.5868     5.6266 
   H  33    3.8981     3.6167     5.2293     4.5875     5.0180     6.2098 
   H  34    2.2901     1.8397     3.5192     4.0130     3.4849     4.4727 
   H  35    1.4158     3.1408     4.3433     1.7733     5.0104     4.8212 
   H  36    0.6201     1.8397     2.7431     3.3533     3.4849     3.2069 
   H  37    1.7733     1.4158     1.4158     4.7206     2.2901     1.8397 
   H  38    2.3800     3.9755     5.3800     0.6200     5.9434     5.9434 
   H  39    5.0104     3.3533     2.2900     7.9350     1.4158     2.6200 
   H  40    5.0104     4.0130     2.2901     7.9350     2.6200     1.4158 

              C  25      C  26      H  27      H  28      H  29      H  30
              ------------------------------------------------------------------
   C  25    0.0000 
   C  26    1.7321     0.0000 
   H  27    6.5046     7.6070     0.0000 
   H  28    7.0673     8.2937     0.9473     0.0000 
   H  29    8.0036     9.1946     1.6370     0.9498     0.0000 
   H  30    8.5135     9.5320     2.0337     1.8799     1.2154     0.0000 
   H  31    8.0590     8.9462     1.8684     2.1653     1.8799     0.9500 
   H  32    5.4853     6.3803     1.4739     2.4001     3.0847     3.1673 
   H  33    5.8507     6.9001     0.7320     1.6168     2.3689     2.6639 
   H  34    4.4187     5.2331     2.5303     3.3882     4.1671     4.3210 
   H  35    5.9770     5.8193     5.0442     5.9896     6.4622     6.0205 
   H  36    4.4187     4.2029     5.1714     6.0940     6.7592     6.6018 
   H  37    3.1408     2.8292     5.6560     6.5078     7.2919     7.3467 
   H  38    6.9343     6.9343     4.7279     5.6384     5.9503     5.3190 
   H  39    0.6200     2.2901     6.4923     6.9831     7.9294     8.5207 
   H  40    2.2901     0.6200     8.2068     8.9039     9.8008    10.1180 

              H  31      H  32      H  33      H  34      H  35      H  36
              ------------------------------------------------------------------
   H  31    0.0000 
   H  32    2.5844     0.0000 
   H  33    2.2931     0.7971     0.0000 
   H  34    3.7155     1.1540     1.7991     0.0000 
   H  35    5.1038     3.6870     4.4691     3.2401     0.0000 
   H  36    5.7780     3.6980     4.4781     2.8060     1.6200     0.0000 
   H  37    6.6164     4.2290     4.9257     3.1270     3.0000     1.3800 
   H  38    4.3720     3.5831     4.2849     3.5192     1.1972     2.7431 
   H  39    8.1296     5.5881     5.8747     4.5826     6.4201     4.9003 
   H  40    9.5147     6.9591     7.4959     5.8081     6.1810     4.5826 

              H  37      H  38      H  39      H  40
              --------------------------------------------
   H  37    0.0000 
   H  38    4.1053     0.0000 
   H  39    3.6739     7.3256     0.0000 
   H  40    3.2380     7.3256     2.8059     0.0000 



ATOMIC CHARGES
  Cl   1   -0.0800003346
  Cl   2   -0.0800003346
   F   3   -0.1662889954
   F   4   -0.1662889954
   O   5   -0.4880062962
   O   6   -0.4305187287
   O   7   -0.2698497514
   N   8   -0.2790425120
   N   9   -0.2602464135
   C  10   -0.0067564215
   C  11   -0.0467681792
   C  12   -0.0467681792
   C  13    0.0925596422
   C  14    0.1628458007
   C  15    0.1682967532
   C  16   -0.0041705134
   C  17    0.0407090655
   C  18   -0.0153576678
   C  19   -0.0459330143
   C  20    0.2484374392
   C  21    0.0736365638
   C  22    0.3893723696
   C  23    0.0815968570
   C  24    0.0815968570
   C  25    0.0477555667
   C  26    0.0477555667
   H  27    0.0333506331
   H  28    0.0269087920
   H  29    0.0269087920
   H  30    0.0269087920
   H  31    0.0269087920
   H  32    0.0699137856
   H  33    0.0699137856
   H  34    0.0662754482
   H  35    0.0655442371
   H  36    0.0626192402
   H  37    0.1552167935
   H  38    0.1519928215
   H  39    0.0844859715
   H  40    0.0844859715


BOND ANGLES
  13    5   14   C3   O3  Car    120.001
  15    6   22  Car   O3   C3    120.001
  20    8   21   C2  Nam  Car    120.001
  20    8   37   C2  Nam   HC    120.002
  21    8   37  Car  Nam   HC    119.997
  25    9   26  Car  Nar  Car    120.001
  11   10   12   C3   C3   C3     59.999
  11   10   13   C3   C3   C3    149.999
  11   10   27   C3   C3   HC     74.998
  12   10   13   C3   C3   C3    150.001
  12   10   27   C3   C3   HC    134.997
  13   10   27   C3   C3   HC     75.002
  10   11   12   C3   C3   C3     59.999
  10   11   28   C3   C3   HC    100.003
  10   11   29   C3   C3   HC    160.004
  12   11   28   C3   C3   HC    160.002
  12   11   29   C3   C3   HC    100.005
  28   11   29   HC   C3   HC     99.993
  10   12   11   C3   C3   C3     60.001
  10   12   30   C3   C3   HC    160.003
  10   12   31   C3   C3   HC    100.001
  11   12   30   C3   C3   HC    100.001
  11   12   31   C3   C3   HC    160.003
  30   12   31   HC   C3   HC     99.996
   5   13   10   O3   C3   C3    119.999
   5   13   32   O3   C3   HC     79.999
   5   13   33   O3   C3   HC    159.996
  10   13   32   C3   C3   HC    160.003
  10   13   33   C3   C3   HC     80.006
  32   13   33   HC   C3   HC     79.997
   5   14   15   O3  Car  Car    120.001
   5   14   16   O3  Car  Car    119.998
  15   14   16  Car  Car  Car    120.001
   6   15   14   O3  Car  Car    120.001
   6   15   18   O3  Car  Car    120.001
  14   15   18  Car  Car  Car    119.999
  14   16   17  Car  Car  Car    120.001
  14   16   34  Car  Car   HC    119.997
  17   16   34  Car  Car   HC    120.002
  16   17   19  Car  Car  Car    119.999
  16   17   20  Car  Car   C2    120.001
  19   17   20  Car  Car   C2    120.001
  15   18   19  Car  Car  Car    120.001
  15   18   35  Car  Car   HC    120.002
  19   18   35  Car  Car   HC    119.997
  17   19   18  Car  Car  Car    120.001
  17   19   36  Car  Car   HC    120.002
  18   19   36  Car  Car   HC    119.997
   7   20    8   O2   C2  Nam    119.999
   7   20   17   O2   C2  Car    120.001
   8   20   17  Nam   C2  Car    120.001
   8   21   23  Nam  Car  Car    120.001
   8   21   24  Nam  Car  Car    119.998
  23   21   24  Car  Car  Car    120.001
   3   22    4    F   C3    F    119.998
   3   22    6    F   C3   O3    120.001
   3   22   38    F   C3   HC    179.974
   4   22    6    F   C3   O3    120.001
   4   22   38    F   C3   HC     60.002
   6   22   38   O3   C3   HC     59.999
   1   23   21   Cl  Car  Car    119.999
   1   23   25   Cl  Car  Car    120.001
  21   23   25  Car  Car  Car    120.001
   2   24   21   Cl  Car  Car    120.001
   2   24   26   Cl  Car  Car    120.001
  21   24   26  Car  Car  Car    119.998
   9   25   23  Nar  Car  Car    120.001
   9   25   39  Nar  Car   HC    119.998
  23   25   39  Car  Car   HC    120.002
   9   26   24  Nar  Car  Car    119.998
   9   26   40  Nar  Car   HC    120.000
  24   26   40  Car  Car   HC    120.002


TORSION ANGLES
  14    5   13   10    179.974
  14    5   13   32      0.026
  14    5   13   33      0.026
  13    5   14   15    179.974
  13    5   14   16      0.026
  22    6   15   14    179.974
  22    6   15   18      0.026
  15    6   22    3    179.974
  15    6   22    4      0.026
  15    6   22   38      0.026
  21    8   20    7      0.026
  21    8   20   17    179.974
  37    8   20    7    179.974
  37    8   20   17      0.026
  20    8   21   23      0.026
  20    8   21   24    179.974
  37    8   21   23    179.974
  37    8   21   24      0.026
  26    9   25   23      0.026
  26    9   25   39    179.974
  25    9   26   24      0.026
  25    9   26   40    179.974
  12   10   11   12      0.026
  12   10   11   28    179.974
  12   10   11   29      0.026
  13   10   11   12    179.974
  13   10   11   28      0.026
  13   10   11   29    179.974
  27   10   11   12    179.974
  27   10   11   28      0.026
  27   10   11   29    179.974
  11   10   12   11      0.026
  11   10   12   30      0.026
  11   10   12   31    179.974
  13   10   12   11    179.974
  13   10   12   30    179.974
  13   10   12   31      0.026
  27   10   12   11      0.026
  27   10   12   30      0.026
  27   10   12   31    179.974
  11   10   13    5    179.974
  11   10   13   32      0.026
  11   10   13   33      0.026
  12   10   13    5      0.026
  12   10   13   32    179.974
  12   10   13   33    179.974
  27   10   13    5    179.974
  27   10   13   32      0.026
  27   10   13   33      0.026
  10   11   12   10      0.026
  10   11   12   30    179.974
  10   11   12   31      0.026
  28   11   12   10      0.026
  28   11   12   30    179.974
  28   11   12   31      0.026
  29   11   12   10    179.974
  29   11   12   30      0.026
  29   11   12   31    179.974
   5   14   15    6      0.026
   5   14   15   18    179.974
  16   14   15    6    179.974
  16   14   15   18      0.026
   5   14   16   17    179.974
   5   14   16   34      0.026
  15   14   16   17      0.026
  15   14   16   34    179.974
   6   15   18   19    179.974
   6   15   18   35      0.026
  14   15   18   19      0.026
  14   15   18   35    179.974
  14   16   17   19      0.026
  14   16   17   20    179.974
  34   16   17   19    179.974
  34   16   17   20      0.026
  16   17   19   18      0.026
  16   17   19   36    179.974
  20   17   19   18    179.974
  20   17   19   36      0.026
  16   17   20    7      0.026
  16   17   20    8    179.974
  19   17   20    7    179.974
  19   17   20    8      0.026
  15   18   19   17      0.026
  15   18   19   36    179.974
  35   18   19   17    179.974
  35   18   19   36      0.026
   8   21   23    1      0.026
   8   21   23   25    179.974
  24   21   23    1    179.974
  24   21   23   25      0.026
   8   21   24    2      0.026
   8   21   24   26    179.974
  23   21   24    2    179.974
  23   21   24   26      0.026
   1   23   25    9    179.974
   1   23   25   39      0.026
  21   23   25    9      0.026
  21   23   25   39    179.974
   2   24   26    9    179.974
   2   24   26   40      0.026
  21   24   26    9      0.026
  21   24   26   40    179.974