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4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-methoxybenzamide

4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-methoxybenzamide ID: BBC/463
CAS:364-62-5
Supplier:Aronis

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SMILES:c1(c(cc(c(c1)Cl)N)OC)C(=O)NCCN(CC)CC	
FORMULA: C14H22ClN3O2
MASS: 299.7964
EXACT MASS: 299.1400546
INTERATOMIC DISTANCES

              C   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    1.3353     0.0000 
   C   3    1.3299     2.3088     0.0000 
   C   4    1.3294     2.3070     2.3031     0.0000 
   C   5    2.3057     1.3323     2.6597     3.5211     0.0000 
   C   6    2.2979     2.6623     1.3216     3.5113     2.3043     0.0000 
   C   7    2.6531     2.2979     2.2987     3.9825     1.3206     1.3353 
   O   8    2.3056     2.6647     3.5201     1.3305     3.9970     4.6035 
   N   9    2.3052     3.5235     2.6656     1.3277     4.6110     3.9872 
   N  10    3.9870     3.5194     3.5129     5.3164     2.3012     2.3052 
  Cl  11    3.5163     3.9927     2.3004     4.6035     3.5162     1.3305 
   O  12    2.3112     1.3347     3.5269     2.6642     2.3154     3.9970 
   N  13    5.7934     6.9096     6.0936     4.6027     8.0882     7.3954 
   C  14    3.5255     4.6163     3.9987     2.3093     5.8059     5.3203 
   C  15    4.6121     5.8061     4.8013     3.5234     6.9179     6.0920 
   C  16    6.9091     8.0916     7.0381     5.7948     9.2148     8.2979 
   C  17    6.0920     7.0375     6.6479     4.7930     8.3057     7.9695 
   C  18    3.5169     2.2957     4.6044     3.9892     2.6599     4.7924 
   C  19    8.0887     9.2165     8.3057     6.9096    10.3885     9.5819 
   C  20    7.4076     8.3099     7.9842     6.0976     9.5954     9.3058 

              C   7      O   8      N   9      N  10     Cl  11      O  12
              ------------------------------------------------------------------
   C   7    0.0000 
   O   8    4.7909     0.0000 
   N   9    4.7931     2.2956     0.0000 
   N  10    1.3339     6.0965     6.0944     0.0000 
  Cl  11    2.3072     5.7961     4.7982     2.6538     0.0000 
   O  12    3.5202     2.3075     3.9918     4.6166     5.3275     0.0000 
   N  13    8.2974     4.7840     3.5127     9.5837     7.9764     7.0324 
   C  14    6.0961     2.6572     1.3331     7.4085     6.1000     4.8006 
   C  15    7.0375     3.9892     2.3069     8.3061     6.6517     6.1012 
   C  16    9.3042     6.0862     4.6038    10.5510     8.7193     8.3037 
   C  17    8.7122     4.5998     3.9824    10.0347     8.7155     6.9073 
   C  18    3.9805     3.5234     5.3168     4.7956     6.0909     1.3251 
   C  19   10.5502     7.0311     5.7937    11.8153    10.0375     9.3087 
   C  20   10.0376     5.7934     5.3186    11.3627    10.0422     8.0890 

              N  13      C  14      C  15      C  16      C  17      C  18
              ------------------------------------------------------------------
   N  13    0.0000 
   C  14    2.2933     0.0000 
   C  15    1.3247     1.3320     0.0000 
   C  16    1.3328     3.5116     2.2969     0.0000 
   C  17    1.3217     2.6492     2.2979     2.2973     0.0000 
   C  18    8.2990     6.0973     7.4085     9.5866     8.0875     0.0000 
   C  19    2.3069     4.6003     3.5127     1.3277     2.6597    10.5545 
   C  20    2.3056     3.9855     3.5199     2.6600     1.3363     9.2148 

              C  19      C  20
              ----------------------
   C  19    0.0000 
   C  20    2.3073     0.0000 



ATOMIC CHARGES
   C   1    0.0898449274
   C   2    0.1444791751
   C   3    0.0203735925
   C   4    0.2678011506
   C   5    0.0559446265
   C   6    0.0747026318
   C   7    0.1026124558
   O   8   -0.2682591011
   N   9   -0.2000936701
   N  10   -0.1270693776
  Cl  11   -0.0808336080
   O  12   -0.4712321575
   N  13   -0.2711896211
   C  14    0.1327440721
   C  15    0.0958138653
   C  16    0.0721901691
   C  17    0.0721901691
   C  18    0.2524702542
   C  19    0.0187552229
   C  20    0.0187552229


BOND ANGLES
   2    1    3  Car  Car  Car    120.052
   2    1    4  Car  Car   C2    119.940
   3    1    4  Car  Car   C2    120.008
   1    2    5  Car  Car  Car    119.611
   1    2   12  Car  Car   O3    119.900
   5    2   12  Car  Car   O3    120.489
   1    3    6  Car  Car  Car    120.144
   1    4    8  Car   C2   O2    120.183
   1    4    9  Car   C2  Nam    120.364
   8    4    9   O2   C2  Nam    119.453
   2    5    7  Car  Car  Car    120.031
   3    6    7  Car  Car  Car    119.804
   3    6   11  Car  Car   Cl    120.319
   7    6   11  Car  Car   Cl    119.877
   6    7   10  Car  Car  Npl    119.444
   5    7    6  Car  Car  Car    120.358
   5    7   10  Car  Car  Npl    120.198
   4    9   14   C2  Nam   C3    120.434
   2   12   18  Car   O3   C3    119.332
  15   13   16   C3   N3   C3    119.610
  15   13   17   C3   N3   C3    120.528
  16   13   17   C3   N3   C3    119.863
   9   14   15  Nam   C3   C3    119.898
  13   15   14   N3   C3   C3    119.359
  13   16   19   N3   C3   C3    120.245
  13   17   20   N3   C3   C3    120.324


TORSION ANGLES
   5    2    1    3      0.026
   5    2    1    4    179.974
  12    2    1    3    179.974
  12    2    1    4      0.026
   6    3    1    2      0.026
   6    3    1    4    179.974
   8    4    1    2      0.026
   8    4    1    3    179.974
   9    4    1    2    179.974
   9    4    1    3      0.026
   7    5    2    1      0.026
   7    5    2   12    179.974
   7    6    3    1      0.026
  11    6    3    1    179.974
  10    7    6    3    179.974
  10    7    6   11      0.026
   5    7    6    3      0.026
   5    7    6   11    179.974
  14    9    4    1    179.974
  14    9    4    8      0.026
  18   12    2    1    179.974
  18   12    2    5      0.026
  16   13   15   14    179.974
  17   13   15   14      0.026
  15   14    9    4    179.974
  13   15   14    9    179.974
  19   16   13   15    179.974
  19   16   13   17      0.026
  20   17   13   15    179.974
  20   17   13   16      0.026
   6    7    5    2      0.026
  10    7    5    2    179.974