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3-Amino-1-cyclopropylmethyl-5-fluoro-1,3-dihydro-indol-2-one 1HCl salt
3-Amino-1-cyclopropylmethyl-5-fluoro-1,3-dihydro-indol-2-one 1HCl salt ID: B204144
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:N1(C(=O)C(c2c1ccc(c2)F)N)CC1CC1	
FORMULA: C12H13FN2O
MASS: 220.2428
EXACT MASS: 220.1011913
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    0.7159     0.7181     0.0000 
   C   4    0.4427     0.7181     0.4417     0.0000 
   C   5    0.7167     0.4442     0.4427     0.7159     0.0000 
   C   6    0.6034     0.9540     1.2934     0.9151     1.3114     0.0000 
   C   7    0.8085     1.1545     0.7654     0.4424     1.1343     1.0682 
   C   8    0.8237     1.2402     1.4121     0.9816     1.5332     0.3691 
   C   9    1.1343     1.1545     0.4424     0.7654     0.8085     1.6769 
   O  10    0.8804     0.5417     1.2448     1.2447     0.8804     1.1572 
   C  11    1.3262     1.7483     1.8597     1.4185     2.0264     0.8462 
   C  12    1.0983     1.5425     1.4776     1.0441     1.7263     0.8476 
   N  13    1.1792     0.8327     0.7913     1.1609     0.4691     1.7629 
   C  14    1.3212     1.4667     0.7667     0.8848     1.1954     1.7655 
   C  15    1.1954     1.4667     0.8848     0.7667     1.3212     1.5104 
   F  16    1.9044     2.0232     1.3070     1.4688     1.7024     2.3400 

              C   7      C   8      C   9      O  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    0.9710     0.0000 
   C   9    0.8833     1.7332     0.0000 
   O  10    1.6679     1.5124     1.6679     0.0000 
   C  11    1.2792     0.5084     2.1282     2.0034     0.0000 
   C  12    0.8092     0.5050     1.6855     1.9158     0.5050     0.0000 
   N  13    1.5495     2.0000     0.9789     1.0784     2.4951     2.1897 
   C  14    0.7654     1.7275     0.4423     2.0039     2.0384     1.5514 
   C  15    0.4423     1.3978     0.7654     2.0039     1.6457     1.1462 
   F  16    1.3029     2.2737     0.8941     2.5512     2.5330     2.0309 

              N  13      C  14      C  15      F  16
              --------------------------------------------
   N  13    0.0000 
   C  14    1.4187     0.0000 
   C  15    1.6535     0.4417     0.0000 
   F  16    1.8221     0.5840     0.8889     0.0000 



ATOMIC CHARGES
   N   1   -0.2574463609
   C   2    0.2510575470
   C   3    0.0197433911
   C   4    0.0518166179
   C   5    0.1915755589
   C   6    0.0981760259
   C   7    0.0169421213
   C   8    0.0202305934
   C   9    0.0284751074
   O  10   -0.2726094638
   C  11    0.0017688041
   C  12    0.0017688041
   N  13   -0.1181839682
   C  14    0.1399686927
   C  15    0.0308970050
   F  16   -0.2041804761


BOND ANGLES
   2    1    4   C2  Nam  Car    108.132
   2    1    6   C2  Nam   C3    130.600
   4    1    6  Car  Nam   C3    121.268
   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    9  Car  Car  Car    119.938
   4    3    5  Car  Car   C3    108.095
   5    3    9   C3  Car  Car    131.967
   1    4    3  Nam  Car  Car    108.095
   3    4    7  Car  Car  Car    119.938
   1    4    7  Nam  Car  Car    131.967
   2    5   13   C2   C3   N3    131.471
   2    5    3   C2   C3  Car    108.125
   3    5   13  Car   C3   N3    120.404
   1    6    8  Nam   C3   C3    113.567
   4    7   15  Car  Car  Car    120.118
   6    8   11   C3   C3   C3    148.890
   6    8   12   C3   C3   C3    151.331
  11    8   12   C3   C3   C3     59.778
   3    9   14  Car  Car  Car    120.118
   8   11   12   C3   C3   C3     59.774
   8   12   11   C3   C3   C3     60.447
   9   14   16  Car  Car    F    120.563
   9   14   15  Car  Car  Car    119.944
  15   14   16  Car  Car    F    119.493
   7   15   14  Car  Car  Car    119.944


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
   9    3    4    1    179.974
   9    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
  13    5    2    1    179.974
  13    5    2   10      0.026
   3    5    2    1      0.026
   3    5    2   10    179.974
   8    6    1    2    179.974
   8    6    1    4      0.026
  15    7    4    3      0.026
  15    7    4    1    179.974
  11    8    6    1    179.974
  12    8    6    1      0.026
  14    9    3    4      0.026
  14    9    3    5    179.974
  12   11    8    6    179.974
  12   11    8   12      0.026
  11   12    8    6    179.974
  11   12    8   11      0.026
  16   14    9    3    179.974
  15   14    9    3      0.026
  14   15    7    4      0.026
   4    3    5    2      0.026
   4    3    5   13    179.974
   9    3    5    2    179.974
   9    3    5   13      0.026
   8   11   12    8      0.026
   7   15   14    9      0.026
   7   15   14   16    179.974


CHIRAL ATOMS
   7   15   14   16    179.974