Sign In Join Free

Products Information

2-(2-amino-3-benzoyl-phenyl)acetamide
2-(2-amino-3-benzoyl-phenyl)acetamide ID: AN-606
CAS:78281-72-8
Supplier:AN PharmaTech Co Ltd

Get a quote


SMILES:O=C(c1c(N)c(CC(=O)N)ccc1)c1ccccc1	151075
FORMULA: C15H14N2O2
MASS: 254.2839
EXACT MASS: 254.1055277
INTERATOMIC DISTANCES

              O   1      O   2      N   3      N   4      C   5      C   6
              ------------------------------------------------------------------
   O   1    0.0000 
   O   2    5.0000     0.0000 
   N   3    1.7320     3.6056     0.0000 
   N   4    5.2915     1.7320     3.6055     0.0000 
   C   5    3.0000     2.0000     1.7321     2.6457     0.0000 
   C   6    2.0000     3.0000     1.0000     3.4641     1.0001     0.0000 
   C   7    1.7320     3.6055     1.7320     4.3589     1.7321     1.0000 
   C   8    3.6055     1.7320     2.0000     1.7320     1.0000     1.7321 
   C   9    3.6056     1.7320     2.6458     2.9999     1.0000     1.7321 
   C  10    2.6457     3.4641     2.6457     4.5826     2.0000     1.7320 
   C  11    1.0000     4.5826     2.0000     5.1961     2.6458     1.7320 
   C  12    3.4641     2.6458     3.0000     4.0000     1.7321     2.0000 
   C  13    1.7321     5.2915     3.0000     6.0828     3.4642     2.6458 
   C  14    4.5826     1.0000     3.0000     1.0000     1.7320     2.6458 
   C  15    2.0000     6.2450     3.6055     6.9282     4.3590     3.4641 
   C  16    2.6458     5.1962     3.6056     6.2450     3.6056     3.0000 
   C  17    3.0000     7.0000     4.5826     7.8102     5.1962     4.3589 
   C  18    3.4641     6.0828     4.5826     7.2111     4.5826     4.0000 
   C  19    3.6056     6.9282     5.0000     7.9372     5.2915     4.5826 
   H  20    3.8981     2.0295     2.1944     1.4155     1.5967     2.1829 
   H  21    3.1101     2.3451     1.4332     2.1829     1.0812     1.4155 
   H  22    4.2100     1.2347     3.1408     2.7430     1.4158     2.2901 
   H  23    2.8292     4.0130     3.1407     5.1927     2.6200     2.2900 
   H  24    4.0130     2.8292     3.6200     4.3433     2.2901     2.6200 
   H  25    2.2901     3.4849     0.6201     3.2069     1.8397     1.4158 
   H  26    1.2347     4.2100     0.6200     4.2100     2.2901     1.4158 
   H  27    1.7733     6.4222     3.4849     6.9559     4.4727     3.5191 
   H  28    2.8292     4.6695     3.4849     5.8141     3.2070     2.7430 
   H  29    3.3533     7.5792     5.0104     8.3333     5.7415     4.8707 
   H  30    4.0131     6.1648     5.0104     7.4070     4.8213     4.3433 
   H  31    4.2100     7.4715     5.6199     8.5255     5.8809     5.1927 
   H  32    5.8809     1.8397     4.2101     0.6201     3.1408     4.0131 
   H  33    5.2100     2.2901     3.4849     0.6200     2.8291     3.5191 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    2.6458     0.0000 
   C   9    2.0000     1.7320     0.0000 
   C  10    1.0000     3.0000     1.7321     0.0000 
   C  11    1.0000     3.4641     3.0000     1.7320     0.0000 
   C  12    1.7320     2.6458     1.0001     1.0000     2.6457     0.0000 
   C  13    1.7321     4.3590     3.6056     2.0000     1.0001     3.0000 
   C  14    3.4641     1.0000     2.0000     3.6055     4.3589     3.0000 
   C  15    2.6458     5.1962     4.5826     3.0000     1.7321     4.0000 
   C  16    2.0000     4.5826     3.4642     1.7321     1.7321     2.6458 
   C  17    3.4641     6.0828     5.2915     3.6055     2.6458     4.5826 
   C  18    3.0000     5.5678     4.3590     2.6458     2.6458     3.4641 
   C  19    3.6055     6.2450     5.1962     3.4641     3.0000     4.3589 
   H  20    3.1512     0.6199     2.3450     3.5888     3.8917     3.2657 
   H  21    2.4059     0.6200     2.0295     2.9560     3.1021     2.8113 
   H  22    2.6200     1.8397     0.6200     2.2901     3.6200     1.4158 
   H  23    1.4158     3.6200     2.2901     0.6200     1.8397     1.4157 
   H  24    2.2901     3.1408     1.4158     1.4158     3.1407     0.6200 
   H  25    2.2901     1.7732     2.8292     3.1408     2.6200     3.3533 
   H  26    1.8397     2.6200     3.1408     2.8292     1.7732     3.3533 
   H  27    2.8292     5.2331     4.8213     3.3533     1.8397     4.3433 
   H  28    1.7732     4.2029     2.9436     1.2347     1.8397     2.0698 
   H  29    4.0130     6.6018     5.8809     4.2100     3.1408     5.1927 
   H  30    3.3533     5.8194     4.4727     2.8292     3.1408     3.5191 
   H  31    4.2100     6.8428     5.7415     4.0130     3.6200     4.8707 
   H  32    4.8708     2.2901     3.3533     5.0105     5.7415     4.3434 
   H  33    4.4726     1.8396     3.3532     4.8212     5.2330     4.3433 

              C  13      C  14      C  15      C  16      C  17      C  18
              ------------------------------------------------------------------
   C  13    0.0000 
   C  14    5.1962     0.0000 
   C  15    1.0000     6.0828     0.0000 
   C  16    1.0000     5.2915     1.7320     0.0000 
   C  17    1.7320     6.9282     1.0000     2.0000     0.0000 
   C  18    1.7320     6.2450     2.0000     1.0000     1.7320     0.0000 
   C  19    2.0000     7.0000     1.7320     1.7320     1.0000     1.0000 
   H  20    4.8282     1.0812     5.6148     5.1245     6.5338     6.1177 
   H  21    4.0507     1.5968     4.8210     4.3997     5.7469     5.3983 
   H  22    4.2101     1.7732     5.1928     4.0131     5.8809     4.8708 
   H  23    1.7733     4.2100     2.7431     1.2347     3.2070     2.0699 
   H  24    3.3533     3.3533     4.3433     2.8292     4.8212     3.5191 
   H  25    3.6201     2.7430     4.2101     4.2101     5.1928     5.1928 
   H  26    2.7431     3.6200     3.2070     3.4849     4.2029     4.4187 
   H  27    1.4158     6.1648     0.6200     2.2901     1.4158     2.6200 
   H  28    1.4158     4.8399     2.2901     0.6201     2.6200     1.4158 
   H  29    2.2900     7.4715     1.4157     2.6199     0.6200     2.2900 
   H  30    2.2901     6.4222     2.6200     1.4158     2.2901     0.6200 
   H  31    2.6199     7.5792     2.2900     2.2900     1.4158     1.4157 
   H  32    6.6019     1.4158     7.4716     6.7056     8.3334     7.6541 
   H  33    6.1648     1.4158     6.9559     6.4222     7.8743     7.4070 

              C  19      H  20      H  21      H  22      H  23      H  24
              ------------------------------------------------------------------
   C  19    0.0000 
   H  20    6.7558     0.0000 
   H  21    5.9980     0.7971     0.0000 
   H  22    5.7415     2.3980     2.2860     0.0000 
   H  23    2.9436     4.2079     3.5649     2.8059     0.0000 
   H  24    4.4726     3.7574     3.3700     1.6200     1.6199     0.0000 
   H  25    5.6200     1.7992     1.1540     3.2380     3.6739     3.9665 
   H  26    4.7206     2.7952     2.0484     3.6739     3.2380     3.9665 
   H  27    2.2901     5.5966     4.7998     5.4400     3.1864     4.7432 
   H  28    2.2901     4.7740     4.0920     3.4641     0.6582     2.2146 
   H  29    1.4158     7.0291     6.2360     6.4759     3.8242     5.4399 
   H  30    1.4158     6.3937     5.7092     4.9340     2.2146     3.4641 
   H  31    0.6200     7.3612     6.6081     6.2700     3.4641     4.9339 
   H  32    8.4158     2.0285     2.7807     3.0000     5.6083     4.6201 
   H  33    8.0774     1.3414     2.1355     3.1864     5.4399     4.7432 

              H  25      H  26      H  27      H  28      H  29      H  30
              ------------------------------------------------------------------
   H  25    0.0000 
   H  26    1.0739     0.0000 
   H  27    4.0602     3.0074     0.0000 
   H  28    4.0601     3.4724     2.8059     0.0000 
   H  29    5.6083     4.5826     1.6199     3.2400     0.0000 
   H  30    5.6084     4.9003     3.2400     1.6200     2.8059     0.0000 
   H  31    6.2400     5.3371     2.8059     2.8059     1.6200     1.6199 
   H  32    3.8242     4.8185     7.5229     6.2450     8.8689     7.8144 
   H  33    3.0073     4.0601     6.9282     6.0360     8.3704     7.6484 

              H  31      H  32      H  33
              ---------------------------------
   H  31    0.0000 
   H  32    8.9941     0.0000 
   H  33    8.6783     1.0739     0.0000 



ATOMIC CHARGES
   O   1   -0.2865904313
   O   2   -0.2756751150
   N   3   -0.3571923517
   N   4   -0.3290524809
   C   5   -0.0173183699
   C   6    0.0391675582
   C   7    0.0431291067
   C   8    0.0506326913
   C   9   -0.0563323710
   C  10   -0.0491288431
   C  11    0.1949043049
   C  12   -0.0607033850
   C  13    0.0223176163
   C  14    0.2148693259
   C  15   -0.0509180929
   C  16   -0.0509180929
   C  17   -0.0610863628
   C  18   -0.0610863628
   C  19   -0.0617201699
   H  20    0.0407452956
   H  21    0.0407452956
   H  22    0.0620980834
   H  23    0.0625188646
   H  24    0.0617871255
   H  25    0.1423478969
   H  26    0.1423478969
   H  27    0.0624602652
   H  28    0.0624602652
   H  29    0.0617772765
   H  30    0.0617772765
   H  31    0.0617585949
   H  32    0.1449388443
   H  33    0.1449388443


BOND ANGLES
   6    3   25  Car  Npl   HC    119.997
   6    3   26  Car  Npl   HC    120.002
  25    3   26   HC  Npl   HC    120.001
  14    4   32   C2  Nam   HC    120.002
  14    4   33   C2  Nam   HC    120.001
  32    4   33   HC  Nam   HC    119.997
   6    5    8  Car  Car   C3    120.001
   6    5    9  Car  Car  Car    119.998
   8    5    9   C3  Car  Car    120.001
   3    6    5  Npl  Car  Car    119.998
   3    6    7  Npl  Car  Car    120.001
   5    6    7  Car  Car  Car    120.001
   6    7   10  Car  Car  Car    120.001
   6    7   11  Car  Car   C2    119.999
  10    7   11  Car  Car   C2    120.001
   5    8   14  Car   C3   C2    119.999
   5    8   20  Car   C3   HC    160.002
   5    8   21  Car   C3   HC     79.993
  14    8   20   C2   C3   HC     80.000
  14    8   21   C2   C3   HC    160.009
  20    8   21   HC   C3   HC     80.009
   5    9   12  Car  Car  Car    119.998
   5    9   22  Car  Car   HC    120.002
  12    9   22  Car  Car   HC    120.000
   7   10   12  Car  Car  Car    120.001
   7   10   23  Car  Car   HC    120.002
  12   10   23  Car  Car   HC    119.998
   1   11    7   O2   C2  Car    120.001
   1   11   13   O2   C2  Car    119.998
   7   11   13  Car   C2  Car    120.001
   9   12   10  Car  Car  Car    120.001
   9   12   24  Car  Car   HC    119.998
  10   12   24  Car  Car   HC    120.001
  11   13   15   C2  Car  Car    120.001
  11   13   16   C2  Car  Car    119.998
  15   13   16  Car  Car  Car    120.001
   2   14    4   O2   C2  Nam    120.001
   2   14    8   O2   C2   C3    120.001
   4   14    8  Nam   C2   C3    119.999
  13   15   17  Car  Car  Car    119.999
  13   15   27  Car  Car   HC    120.001
  17   15   27  Car  Car   HC    120.001
  13   16   18  Car  Car  Car    120.001
  13   16   28  Car  Car   HC    119.997
  18   16   28  Car  Car   HC    120.002
  15   17   19  Car  Car  Car    120.001
  15   17   29  Car  Car   HC    119.998
  19   17   29  Car  Car   HC    120.002
  16   18   19  Car  Car  Car    119.999
  16   18   30  Car  Car   HC    120.001
  19   18   30  Car  Car   HC    120.001
  17   19   18  Car  Car  Car    120.001
  17   19   31  Car  Car   HC    120.002
  18   19   31  Car  Car   HC    119.998


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