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3-Amino-1-benzyl-5-fluoro-1,3-dihydro-indol-2-one 1HCl salt
3-Amino-1-benzyl-5-fluoro-1,3-dihydro-indol-2-one 1HCl salt ID: B204147
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:N1(C(=O)C(c2c1ccc(c2)F)N)Cc1ccccc1	
FORMULA: C15H13FN2O
MASS: 256.2749
EXACT MASS: 256.1011913
INTERATOMIC DISTANCES

              N   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    0.4417     0.0000 
   C   3    0.7158     0.7141     0.0000 
   C   4    0.4427     0.7141     0.4416     0.0000 
   C   5    0.7166     0.4417     0.4427     0.7158     0.0000 
   C   6    0.4428     0.7885     1.1453     0.7896     1.1458     0.0000 
   C   7    0.8085     1.1507     0.7654     0.4425     1.1343     1.0004 
   C   8    1.1343     1.1507     0.4425     0.7654     0.8085     1.5419 
   O   9    0.8918     0.5584     1.2570     1.2570     0.8918     1.0337 
   N  10    1.2180     0.8813     0.7975     1.1807     0.5034     1.6394 
   C  11    1.3212     1.4626     0.7667     0.8848     1.1954     1.6600 
   C  12    1.1954     1.4626     0.8848     0.7667     1.3212     1.4379 
   C  13    0.7444     0.8988     1.4507     1.1651     1.3290     0.4302 
   F  14    1.9789     2.0940     1.3817     1.5428     1.7753     2.3127 
   C  15    1.1277     1.3204     1.8433     1.5157     1.7485     0.7276 
   C  16    0.8637     0.7935     1.4741     1.3046     1.2290     0.7498 
   C  17    1.2814     1.1735     1.8745     1.7221     1.5911     1.1279 
   C  18    1.4731     1.5790     2.1773     1.8877     2.0201     1.1142 
   C  19    1.5376     1.5222     2.1935     1.9774     1.9563     1.2731 

              C   7      C   8      O   9      N  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    0.8834     0.0000 
   O   9    1.6800     1.6800     0.0000 
   N  10    1.5601     0.9578     1.1454     0.0000 
   C  11    0.7654     0.4424     2.0163     1.3994     0.0000 
   C  12    0.4424     0.7654     2.0163     1.6482     0.4416     0.0000 
   C  13    1.4252     1.8776     0.8832     1.7771     2.0494     1.8583 
   F  14    1.3700     0.9668     2.6379     1.8537     0.6581     0.9509 
   C  15    1.7019     2.2578     1.2517     2.1986     2.3870     2.1442 
   C  16    1.6525     1.9165     0.5341     1.5990     2.1686     2.0572 
   C  17    2.0662     2.3164     0.7595     1.9021     2.5827     2.4742 
   C  18    2.1064     2.6063     1.3639     2.4284     2.7690     2.5475 
   C  19    2.2669     2.6349     1.1695     2.3017     2.8587     2.6964 

              C  13      F  14      C  15      C  16      C  17      C  18
              ------------------------------------------------------------------
   C  13    0.0000 
   F  14    2.7069     0.0000 
   C  15    0.4216     3.0379     0.0000 
   C  16    0.4218     2.8218     0.7281     0.0000 
   C  17    0.7274     3.2338     0.8381     0.4177     0.0000 
   C  18    0.7288     3.4244     0.4177     0.8407     0.7281     0.0000 
   C  19    0.8434     3.5163     0.7274     0.7288     0.4216     0.4218 

              C  19
              -----------
   C  19    0.0000 



ATOMIC CHARGES
   N   1   -0.2531538270
   C   2    0.2513267946
   C   3    0.0197541257
   C   4    0.0521576691
   C   5    0.1915848467
   C   6    0.1247588993
   C   7    0.0169528676
   C   8    0.0284752407
   O   9   -0.2726003804
   N  10   -0.1181838423
   C  11    0.1399686938
   C  12    0.0308971383
   C  13   -0.0019981515
   F  14   -0.2041804761
   C  15   -0.0026016076
   C  16   -0.0026016076
   C  17   -0.0002688548
   C  18   -0.0002688548
   C  19   -0.0000186735


BOND ANGLES
   2    1    4   C2  Nam  Car    107.693
   2    1    6   C2  Nam   C3    126.121
   4    1    6  Car  Nam   C3    126.186
   1    2    5  Nam   C2   C3    108.424
   1    2    9  Nam   C2   O2    125.788
   5    2    9   C3   C2   O2    125.788
   4    3    8  Car  Car  Car    119.949
   4    3    5  Car  Car   C3    108.095
   5    3    8   C3  Car  Car    131.956
   1    4    3  Nam  Car  Car    108.095
   3    4    7  Car  Car  Car    119.949
   1    4    7  Nam  Car  Car    131.956
   2    5   10   C2   C3   N3    137.561
   2    5    3   C2   C3  Car    107.693
   3    5   10  Car   C3   N3    114.746
   1    6   13  Nam   C3  Car    116.997
   4    7   12  Car  Car  Car    120.096
   3    8   11  Car  Car  Car    120.096
  12   11   14  Car  Car    F    118.349
   8   11   12  Car  Car  Car    119.955
   8   11   14  Car  Car    F    121.696
   7   12   11  Car  Car  Car    119.955
   6   13   15   C3  Car  Car    117.337
   6   13   16   C3  Car  Car    123.288
  15   13   16  Car  Car  Car    119.375
  13   15   18  Car  Car  Car    120.523
  13   16   17  Car  Car  Car    120.101
  16   17   19  Car  Car  Car    120.523
  15   18   19  Car  Car  Car    120.101
  17   19   18  Car  Car  Car    119.375


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


CHIRAL ATOMS
  17   19   18   15      0.026