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3-Amino-1-cyclopentyl-5-fluoro-1,3-dihydro-indol-2-one 1HCl salt
3-Amino-1-cyclopentyl-5-fluoro-1,3-dihydro-indol-2-one 1HCl salt ID: B204146
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:C1(=O)N(c2c(C1N)cc(cc2)F)C1CCCC1	
FORMULA: C13H15FN2O
MASS: 234.2694
EXACT MASS: 234.1168413
INTERATOMIC DISTANCES

              C   1      N   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   N   2    0.4417     0.0000 
   C   3    0.7142     0.4428     0.0000 
   C   4    0.7142     0.7160     0.4417     0.0000 
   C   5    0.4418     0.7167     0.7160     0.4428     0.0000 
   C   6    1.1561     0.8131     0.4481     0.7711     1.1403     0.0000 
   O   7    0.5625     0.8956     1.2612     1.2612     0.8956     1.6891 
   C   8    1.1545     1.1373     0.7675     0.4460     0.8127     0.8875 
   C   9    0.7891     0.4414     0.7867     1.1433     1.1453     0.9989 
   N  10    0.8327     1.1789     1.1590     0.7886     0.4682     1.5529 
   C  11    1.4667     1.3250     0.8884     0.7708     1.1996     0.7690 
   C  12    1.4667     1.1996     0.7708     0.8884     1.3250     0.4445 
   F  13    2.0401     1.9091     1.4702     1.3309     1.7354     1.2819 
   C  14    1.1916     0.7877     0.9807     1.4037     1.5023     1.0049 
   C  15    0.9334     0.7792     1.1985     1.4864     1.3644     1.4564 
   C  16    1.3359     1.1041     1.4711     1.8190     1.7540     1.6307 
   C  17    1.4596     1.1173     1.3827     1.7889     1.8272     1.4260 

              O   7      C   8      C   9      N  10      C  11      C  12
              ------------------------------------------------------------------
   O   7    0.0000 
   C   8    1.6880     0.0000 
   C   9    1.0391     1.5418     0.0000 
   N  10    1.0921     0.9789     1.5962     0.0000 
   C  11    2.0246     0.4423     1.6600     1.4187     0.0000 
   C  12    2.0246     0.7654     1.4378     1.6535     0.4417     0.0000 
   F  13    2.5921     0.9250     2.2305     1.8672     0.5850     0.8558 
   C  14    1.4563     1.7414     0.4223     1.9665     1.7563     1.4409 
   C  15    0.9067     1.9159     0.4601     1.7605     2.0861     1.8917 
   C  16    1.3174     2.2261     0.6852     2.1680     2.3347     2.0752 
   C  17    1.5866     2.1491     0.6821     2.2772     2.1783     1.8592 

              F  13      C  14      C  15      C  16      C  17
              -------------------------------------------------------
   F  13    0.0000 
   C  14    2.2868     0.0000 
   C  15    2.6647     0.7180     0.0000 
   C  16    2.8959     0.6843     0.4208     0.0000 
   C  17    2.7077     0.4222     0.7003     0.4202     0.0000 



ATOMIC CHARGES
   C   1    0.2510086535
   N   2   -0.2590900787
   C   3    0.0517546694
   C   4    0.0197425747
   C   5    0.1915748526
   C   6    0.0169413045
   O   7   -0.2726101510
   C   8    0.0284751041
   C   9    0.0798095003
   N  10   -0.1181839713
   C  11    0.1399686927
   C  12    0.0308970017
   F  13   -0.2041804761
   C  14    0.0201792625
   C  15    0.0201792625
   C  16    0.0017668993
   C  17    0.0017668993


BOND ANGLES
   2    1    5  Nam   C2   C3    108.432
   2    1    7  Nam   C2   O2    125.788
   5    1    7   C3   C2   O2    125.780
   1    2    3   C2  Nam  Car    107.697
   1    2    9   C2  Nam   C3    126.635
   3    2    9  Car  Nam   C3    125.668
   2    3    6  Nam  Car  Car    131.767
   2    3    4  Nam  Car  Car    108.091
   4    3    6  Car  Car  Car    120.141
   5    4    8   C3  Car  Car    132.234
   3    4    5  Car  Car   C3    108.091
   3    4    8  Car  Car  Car    119.675
   1    5    4   C2   C3  Car    107.689
   4    5   10  Car   C3   N3    119.898
   1    5   10   C2   C3   N3    132.413
   3    6   12  Car  Car  Car    119.445
   4    8   11  Car  Car  Car    120.381
   2    9   14  Nam   C3   C3    131.552
   2    9   15  Nam   C3   C3    119.607
  14    9   15   C3   C3   C3    108.840
   8   11   13  Car  Car    F    127.880
   8   11   12  Car  Car  Car    119.944
  12   11   13  Car  Car    F    112.176
   6   12   11  Car  Car  Car    120.413
   9   14   17   C3   C3   C3    107.730
   9   15   16   C3   C3   C3    102.030
  15   16   17   C3   C3   C3    112.751
  14   17   16   C3   C3   C3    108.648


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


CHIRAL ATOMS
   6   12   11   13    179.974