
 CHEMBL3423271

 33 35  0  0  0  0  0  0  0  0999 V2000
    0.6330    1.1393   -0.4559 C   0  0  0  0  0
   -0.5419    0.1951   -0.5452 C   0  0  0  0  0
    0.7700   -0.2625    0.0600 C   0  0  0  0  0
    0.8696   -0.5152    1.4660 N   0  0  0  0  0
    0.8985   -1.8000    1.9755 C   0  0  0  0  0
    0.8395   -2.8129    1.2890 O   0  0  0  0  0
    1.0522   -1.9105    3.4512 C   0  0  0  0  0
    1.7518   -3.0085    3.9658 C   0  0  0  0  0
    1.9115   -3.1389    5.3435 C   0  0  0  0  0
    1.3707   -2.1921    6.2135 C   0  0  0  0  0
    0.6570   -1.1067    5.7038 C   0  0  0  0  0
    0.4941   -0.9652    4.3237 C   0  0  0  0  0
    2.7845   -4.4777    5.9806 Cl  0  0  0  0  0
   -0.9836   -0.3285   -1.8902 C   0  0  0  0  0
   -1.3778    0.5446   -2.9168 C   0  0  0  0  0
   -1.7991    0.0531   -4.1493 C   0  0  0  0  0
   -1.8489   -1.3112   -4.3979 C   0  0  0  0  0
   -1.4729   -2.1988   -3.3942 C   0  0  0  0  0
   -1.0489   -1.7089   -2.1540 C   0  0  0  0  0
   -2.1650    0.9126   -5.1102 F   0  0  0  0  0
    1.1754    1.3883   -1.3617 H   0  0  0  0  0
    0.5653    1.9568    0.2511 H   0  0  0  0  0
   -1.3530    0.3747    0.1578 H   0  0  0  0  0
    1.3942   -0.9294   -0.5333 H   0  0  0  0  0
    1.0874    0.2639    2.0733 H   0  0  0  0  0
    2.1704   -3.7527    3.2917 H   0  0  0  0  0
    1.4937   -2.3004    7.2885 H   0  0  0  0  0
    0.2194   -0.3786    6.3832 H   0  0  0  0  0
   -0.0953   -0.1331    3.9475 H   0  0  0  0  0
   -1.3592    1.6192   -2.7610 H   0  0  0  0  0
   -2.1810   -1.6720   -5.3657 H   0  0  0  0  0
   -1.5086   -3.2707   -3.5699 H   0  0  0  0  0
   -0.7612   -2.4168   -1.3758 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  5  1  0  0  0
  4 25  1  0  0  0
  5  7  1  0  0  0
  5  6  2  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 13  1  0  0  0
 10 11  1  0  0  0
 10 27  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>
CHEMBL3423271

>  <PubChem CID>
118736331

>  <Formula>
C16H13ClFNO

>  <Molecular Weight>
289.734000

>  <IUPAC Name>
3-chloro-N-[(1S,2R)-2-(3-fluorophenyl)cyclopropyl]benzamide

>  <XlogP>
3.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1C(C1NC(=O)C2=CC(=CC=C2)Cl)C3=CC(=CC=C3)F

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

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

>  <InChI Key>
KMAUSTMXGMWAFZ-CABCVRRESA-N

