Sign In Join Free

Products Information

1-Allyl-3-amino-5-fluoro-1,3-dihydro-indol-2-one 1HCl salt
1-Allyl-3-amino-5-fluoro-1,3-dihydro-indol-2-one 1HCl salt ID: B204145
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

Get a quote


SMILES:N1(C(=O)C(c2c1ccc(c2)F)N)CC=C	
FORMULA: C11H11FN2O
MASS: 206.2162
EXACT MASS: 206.0855412
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    0.8085     1.1545     0.7654     0.4423     1.1343     0.0000 
   C   7    1.1343     1.1545     0.4423     0.7654     0.8085     0.8833 
   O   8    0.9301     0.5958     1.2981     1.2981     0.9301     1.7202 
   C   9    0.4825     0.8303     1.1819     0.8196     1.1872     1.0152 
   N  10    1.1792     0.8327     0.7914     1.1609     0.4691     1.5495 
   C  11    0.8196     1.0029     1.5328     1.2259     1.4302     1.4572 
   C  12    1.3212     1.4667     0.7666     0.8847     1.1954     0.7654 
   C  13    1.2217     1.4428     1.9369     1.5893     1.8659     1.7417 
   C  14    1.1954     1.4667     0.8847     0.7666     1.3212     0.4423 
   F  15    1.9286     2.0505     1.3345     1.4921     1.7312     1.3200 

              C   7      O   8      C   9      N  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   O   8    1.7202     0.0000 
   C   9    1.5750     1.0924     0.0000 
   N  10    0.9789     1.1145     1.6379     0.0000 
   C  11    1.9536     1.0042     0.4427     1.8332     0.0000 
   C  12    0.4423     2.0577     1.6855     1.4187     2.1067     0.0000 
   C  13    2.3420     1.4018     0.7697     2.2738     0.4407     2.4483 
   C  14    0.7654     2.0577     1.4545     1.6535     1.8952     0.4417 
   F  15    0.9229     2.6320     2.2857     1.8516     2.7115     0.6076 

              C  13      C  14      F  15
              ---------------------------------
   C  13    0.0000 
   C  14    2.1836     0.0000 
   F  15    3.0428     0.9025     0.0000 



ATOMIC CHARGES
   N   1   -0.2531634746
   C   2    0.2513266814
   C   3    0.0197541251
   C   4    0.0521575256
   C   5    0.1915848462
   C   6    0.0169528670
   C   7    0.0284752407
   O   8   -0.2726003809
   C   9    0.1245006044
   N  10   -0.1181838423
   C  11   -0.0043509118
   C  12    0.1399686938
   C  13   -0.0031386367
   C  14    0.0308971383
   F  15   -0.2041804761


BOND ANGLES
   2    1    4   C2  Nam  Car    108.136
   2    1    9   C2  Nam   C3    127.215
   4    1    9  Car  Nam   C3    124.648
   1    2    5  Nam   C2   C3    107.553
   1    2    8  Nam   C2   O2    126.227
   5    2    8   C3   C2   O2    126.220
   4    3    7  Car  Car  Car    119.944
   4    3    5  Car  Car   C3    108.091
   5    3    7   C3  Car  Car    131.965
   1    4    3  Nam  Car  Car    108.091
   3    4    6  Car  Car  Car    119.944
   1    4    6  Nam  Car  Car    131.965
   2    5   10   C2   C3   N3    131.471
   2    5    3   C2   C3  Car    108.129
   3    5   10  Car   C3   N3    120.400
   4    6   14  Car  Car  Car    120.112
   3    7   12  Car  Car  Car    120.112
   1    9   11  Nam   C3   C2    124.652
   9   11   13   C3   C2   C2    121.211
   7   12   15  Car  Car    F    122.264
   7   12   14  Car  Car  Car    119.944
  14   12   15  Car  Car    F    117.792
   6   14   12  Car  Car  Car    119.944


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


CHIRAL ATOMS
   6   14   12   15    179.974