
 CHEMBL3423097

 33 35  0  0  0  0  0  0  0  0999 V2000
    1.2553    0.2198   -1.1859 C   0  0  0  0  0
    0.2622   -0.8707   -1.5165 C   0  0  0  0  0
    1.1355   -0.9767   -0.2758 C   0  0  0  0  0
    0.5001   -0.8254    1.0715 C   0  0  0  0  0
   -0.3575    0.0312    1.2379 O   0  0  0  0  0
    0.9701   -1.7236    2.0061 N   0  0  0  0  0
    0.5662   -1.8436    3.3531 C   0  0  0  0  0
   -0.3804   -1.0125    3.9619 C   0  0  0  0  0
   -0.7337   -1.2014    5.3021 C   0  0  0  0  0
   -0.1404   -2.2209    6.0328 C   0  0  0  0  0
    0.8045   -3.0543    5.4502 C   0  0  0  0  0
    1.1590   -2.8645    4.1116 C   0  0  0  0  0
   -0.4828   -2.4031    7.3144 F   0  0  0  0  0
    0.5091   -1.7514   -2.7180 C   0  0  0  0  0
    0.6053   -1.1971   -4.0062 C   0  0  0  0  0
    0.8197   -2.0030   -5.1252 C   0  0  0  0  0
    0.9381   -3.3821   -4.9883 C   0  0  0  0  0
    0.8331   -3.9569   -3.7242 C   0  0  0  0  0
    0.6152   -3.1480   -2.6044 C   0  0  0  0  0
    0.9351   -1.2853   -6.6850 Cl  0  0  0  0  0
    2.1577    0.3106   -1.7797 H   0  0  0  0  0
    0.8590    1.1713   -0.8462 H   0  0  0  0  0
   -0.7850   -0.6209   -1.3453 H   0  0  0  0  0
    1.9708   -1.6691   -0.3198 H   0  0  0  0  0
    1.6733   -2.3797    1.6951 H   0  0  0  0  0
   -0.8644   -0.2036    3.4234 H   0  0  0  0  0
   -1.4692   -0.5565    5.7729 H   0  0  0  0  0
    1.2569   -3.8453    6.0394 H   0  0  0  0  0
    1.8997   -3.5280    3.6734 H   0  0  0  0  0
    0.5067   -0.1207   -4.1308 H   0  0  0  0  0
    1.1044   -4.0109   -5.8587 H   0  0  0  0  0
    0.9144   -5.0349   -3.6093 H   0  0  0  0  0
    0.5202   -3.6176   -1.6275 H   0  0  0  0  0
  1  3  1  0  0  0
  1  2  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  2  3  1  0  0  0
  2 14  1  0  0  0
  2 23  1  0  0  0
  3  4  1  0  0  0
  3 24  1  0  0  0
  4  6  1  0  0  0
  4  5  2  0  0  0
  6  7  1  0  0  0
  6 25  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  8 26  1  0  0  0
  9 10  2  0  0  0
  9 27  1  0  0  0
 10 11  1  0  0  0
 10 13  1  0  0  0
 11 12  2  0  0  0
 11 28  1  0  0  0
 12 29  1  0  0  0
 14 15  2  0  0  0
 14 19  1  0  0  0
 15 16  1  0  0  0
 15 30  1  0  0  0
 16 17  2  0  0  0
 16 20  1  0  0  0
 17 18  1  0  0  0
 17 31  1  0  0  0
 18 19  2  0  0  0
 18 32  1  0  0  0
 19 33  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3423097

>  <PubChem CID>
118736168

>  <Formula>
C16H13ClFNO

>  <Molecular Weight>
289.734000

>  <IUPAC Name>
(1S,2S)-2-(3-chlorophenyl)-N-(4-fluorophenyl)cyclopropane-1-carboxamide

>  <XlogP>
3.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1C(C1C(=O)NC2=CC=C(C=C2)F)C3=CC(=CC=C3)Cl

>  <Isomeric SMILES>
C1[C@@H]([C@H]1C(=O)NC2=CC=C(C=C2)F)C3=CC(=CC=C3)Cl

>  <InChI Std. ID>
InChI=1S/C16H13ClFNO/c17-11-3-1-2-10(8-11)14-9-15(14)16(20)19-13-6-4-12(18)5-7-13/h1-8,14-15H,9H2,(H,19,20)/t14-,15+/m1/s1

>  <InChI Key>
DXGOYVYIIQHABN-CABCVRRESA-N

