
 CHEMBL3423270

 33 35  0  0  0  0  0  0  0  0999 V2000
    0.3808    1.6690   -1.7909 C   0  0  0  0  0
    0.0657    0.1981   -1.9201 C   0  0  0  0  0
    0.1754    0.8458   -0.5539 C   0  0  0  0  0
   -0.9874    1.0355    0.2588 N   0  0  0  0  0
   -1.5128    0.0108    1.0242 C   0  0  0  0  0
   -1.0377   -1.1193    1.0684 O   0  0  0  0  0
   -2.7017    0.3505    1.8542 C   0  0  0  0  0
   -3.5930    1.3675    1.4967 C   0  0  0  0  0
   -4.6831    1.6372    2.3178 C   0  0  0  0  0
   -4.9109    0.9108    3.4814 C   0  0  0  0  0
   -4.0374   -0.1165    3.8316 C   0  0  0  0  0
   -2.9375   -0.3990    3.0176 C   0  0  0  0  0
   -5.5324    2.6150    1.9763 F   0  0  0  0  0
    1.1311   -0.7602   -2.3925 C   0  0  0  0  0
    1.7283   -0.6190   -3.6556 C   0  0  0  0  0
    2.7007   -1.5152   -4.0895 C   0  0  0  0  0
    3.1066   -2.5757   -3.2908 C   0  0  0  0  0
    2.5229   -2.7457   -2.0394 C   0  0  0  0  0
    1.5420   -1.8495   -1.6019 C   0  0  0  0  0
    3.2529   -1.3525   -5.2997 F   0  0  0  0  0
    1.3891    2.0083   -2.0014 H   0  0  0  0  0
   -0.3890    2.3707   -2.0883 H   0  0  0  0  0
   -0.9425   -0.0496   -2.2467 H   0  0  0  0  0
    1.0632    0.6289    0.0365 H   0  0  0  0  0
   -1.3099    1.9838    0.4001 H   0  0  0  0  0
   -3.4818    1.9401    0.5831 H   0  0  0  0  0
   -5.7716    1.1434    4.1013 H   0  0  0  0  0
   -4.2113   -0.6993    4.7331 H   0  0  0  0  0
   -2.2597   -1.2064    3.2922 H   0  0  0  0  0
    1.4341    0.1942   -4.3131 H   0  0  0  0  0
    3.8663   -3.2616   -3.6492 H   0  0  0  0  0
    2.8219   -3.5738   -1.4029 H   0  0  0  0  0
    1.0828   -2.0020   -0.6237 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>
CHEMBL3423270

>  <PubChem CID>
118736330

>  <Formula>
C16H13F2NO

>  <Molecular Weight>
273.283000

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

>  <XlogP>
3.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

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

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

>  <InChI Std. ID>
InChI=1S/C16H13F2NO/c17-12-5-1-3-10(7-12)14-9-15(14)19-16(20)11-4-2-6-13(18)8-11/h1-8,14-15H,9H2,(H,19,20)/t14-,15+/m1/s1

>  <InChI Key>
JCDKEIJVXMBBQV-CABCVRRESA-N

