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3-Amino-5-bromo-1-(3,4-dichloro-benzyl)-1,3-dihydro-indol-2-one 1HCl salt
3-Amino-5-bromo-1-(3,4-dichloro-benzyl)-1,3-dihydro-indol-2-one 1HCl salt ID: B204161
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:N1(C(=O)C(c2c1ccc(c2)Br)N)Cc1cc(c(cc1)Cl)Cl	
FORMULA: C15H11BrCl2N2O
MASS: 386.0706
EXACT MASS: 383.9431803
INTERATOMIC DISTANCES

              N   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    0.4442     0.0000 
   C   3    0.7160     0.7182     0.0000 
   C   4    0.4428     0.7182     0.4417     0.0000 
   C   5    0.7167     0.4442     0.4428     0.7160     0.0000 
   C   6    0.5003     0.8928     1.1645     0.7732     1.2168     0.0000 
   C   7    0.8089     1.1561     0.7690     0.4445     1.1373     0.9186 
   C   8    1.1343     1.1545     0.4423     0.7654     0.8085     1.5374 
   C   9    1.1242     1.0850     1.7625     1.5668     1.5235     1.0487 
   O  10    0.8994     0.5625     1.2653     1.2653     0.8995     1.1791 
   C  11    1.4203     1.4661     2.1053     1.8513     1.9099     1.2037 
   C  12    0.7067     0.9681     1.4215     1.0818     1.3708     0.3652 
   C  13    0.7086     0.7546     1.3771     1.1498     1.1975     0.6628 
   N  14    1.2181     0.8824     0.7975     1.1808     0.5034     1.7172 
   C  15    1.4201     1.5873     2.1351     1.8104     2.0237     1.0702 
   C  16    1.3212     1.4667     0.7666     0.8847     1.1954     1.6170 
  Cl  17    1.4000     1.1926     1.9108     1.8261     1.5728     1.4710 
   C  18    1.1954     1.4667     0.8847     0.7666     1.3212     1.3624 
   C  19    1.1199     1.3823     1.8296     1.4642     1.7909     0.6956 
  Cl  20    1.9181     1.9069     2.5813     2.3554     2.3428     1.7231 
  Br  21    1.9228     2.0279     1.3101     1.4902     1.6968     2.2209 

              C   7      C   8      C   9      O  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    0.8875     0.0000 
   C   9    1.8852     2.2044     0.0000 
   O  10    1.6891     1.6880     0.7735     0.0000 
   C  11    2.1084     2.5418     0.4203     1.1939     0.0000 
   C  12    1.2797     1.8283     0.7274     1.0661     0.8393     0.0000 
   C  13    1.4643     1.8150     0.4217     0.6742     0.7288     0.4191 
   N  14    1.5636     0.9579     1.8833     1.1509     2.2932     1.8468 
   C  15    1.9852     2.5517     0.7281     1.4524     0.4191     0.7288 
   C  16    0.7690     0.4423     2.4418     2.0246     2.7360     1.9534 
  Cl  17    2.2059     2.3449     0.5104     0.6775     0.8077     1.1971 
   C  18    0.4445     0.7654     2.3045     2.0246     2.5458     1.7220 
   C  19    1.5907     2.2238     0.8409     1.4017     0.7274     0.4203 
  Cl  20    2.6260     3.0221     0.8226     1.5313     0.5194     1.3585 
  Br  21    1.3441     0.8886     3.0379     2.5725     3.3408     2.5600 

              C  13      N  14      C  15      C  16     Cl  17      C  18
              ------------------------------------------------------------------
   C  13    0.0000 
   N  14    1.6188     0.0000 
   C  15    0.8420     2.4599     0.0000 
   C  16    2.0296     1.3994     2.6804     0.0000 
  Cl  17    0.8086     1.8112     1.1973     2.6515     0.0000 
   C  18    1.8829     1.6482     2.4297     0.4417     2.5912     0.0000 
   C  19    0.7281     2.2636     0.4217     2.3110     1.3513     2.0340 
  Cl  20    1.2120     2.6769     0.8054     3.2388     0.9501     3.0618 
  Br  21    2.6298     1.7653     3.2865     0.6070     3.2204     0.9342 

              C  19     Cl  20     Br  21
              ---------------------------------
   C  19    0.0000 
  Cl  20    1.2000     0.0000 
  Br  21    2.9132     3.8408     0.0000 



ATOMIC CHARGES
   N   1   -0.2531548956
   C   2    0.2513260298
   C   3    0.0180117307
   C   4    0.0520462737
   C   5    0.1915296537
   C   6    0.1247860313
   C   7    0.0151537600
   C   8    0.0055319350
   C   9    0.0679379808
   O  10   -0.2726003837
   C  11    0.0681793043
   C  12   -0.0011061285
   C  13    0.0096467686
   N  14   -0.1181846091
   C  15    0.0119785287
   C  16    0.0343909316
  Cl  17   -0.0813742764
   C  18    0.0079560665
   C  19   -0.0016824491
  Cl  20   -0.0813649731
  Br  21   -0.0490072790


BOND ANGLES
   2    1    4   C2  Nam  Car    108.136
   2    1    6   C2  Nam   C3    141.871
   4    1    6  Car  Nam   C3    109.993
   1    2    5  Nam   C2   C3    107.553
   1    2   10  Nam   C2   O2    126.227
   5    2   10   C3   C2   O2    126.220
   4    3    8  Car  Car  Car    119.944
   4    3    5  Car  Car   C3    108.091
   5    3    8   C3  Car  Car    131.965
   1    4    3  Nam  Car  Car    108.091
   3    4    7  Car  Car  Car    120.413
   1    4    7  Nam  Car  Car    131.496
   2    5   14   C2   C3   N3    137.129
   2    5    3   C2   C3  Car    108.129
   3    5   14  Car   C3   N3    114.742
   1    6   12  Nam   C3  Car    108.481
   4    7   18  Car  Car  Car    119.173
   3    8   16  Car  Car  Car    120.112
  11    9   13  Car  Car  Car    119.877
  13    9   17  Car  Car   Cl    120.046
  11    9   17  Car  Car   Cl    120.077
   9   11   20  Car  Car   Cl    121.827
   9   11   15  Car  Car  Car    120.321
  15   11   20  Car  Car   Cl    117.852
   6   12   13   C3  Car  Car    115.200
   6   12   19   C3  Car  Car    124.479
  13   12   19  Car  Car  Car    120.321
   9   13   12  Car  Car  Car    119.803
  11   15   19  Car  Car  Car    119.803
  18   16   21  Car  Car   Br    125.214
   8   16   18  Car  Car  Car    119.944
   8   16   21  Car  Car   Br    114.842
   7   18   16  Car  Car  Car    120.413
  12   19   15  Car  Car  Car    119.877


TORSION ANGLES
   5    2    1    4      0.026
   5    2    1    6    179.974
  10    2    1    4    179.974
  10    2    1    6      0.026
   8    3    4    1    179.974
   8    3    4    7      0.026
   5    3    4    1      0.026
   5    3    4    7    179.974
   3    4    1    2      0.026
   3    4    1    6    179.974
   7    4    1    2    179.974
   7    4    1    6      0.026
  14    5    2    1    179.974
  14    5    2   10      0.026
   3    5    2    1      0.026
   3    5    2   10    179.974
  12    6    1    2      0.026
  12    6    1    4    179.974
  18    7    4    3      0.026
  18    7    4    1    179.974
  16    8    3    4      0.026
  16    8    3    5    179.974
  11    9   13   12      0.026
  17    9   13   12    179.974
  20   11    9   13    179.974
  20   11    9   17      0.026
  15   11    9   13      0.026
  15   11    9   17    179.974
  13   12    6    1      0.026
  19   12    6    1    179.974
   9   13   12    6    179.974
   9   13   12   19      0.026
  11   15   19   12      0.026
  21   16   18    7    179.974
   8   16   18    7      0.026
  16   18    7    4      0.026
  15   19   12    6    179.974
  15   19   12   13      0.026
   4    3    5    2      0.026
   4    3    5   14    179.974
   8    3    5    2    179.974
   8    3    5   14      0.026
   9   11   15   19      0.026
  20   11   15   19    179.974
  18   16    8    3      0.026
  21   16    8    3    179.974


CHIRAL ATOMS
  21   16    8    3    179.974