
 CHEMBL3423092

 33 35  0  0  0  0  0  0  0  0999 V2000
    1.6185    0.1436   -1.4686 C   0  0  0  0  0
    0.5310   -0.8938   -1.6048 C   0  0  0  0  0
    1.3869   -0.8412   -0.3492 C   0  0  0  0  0
    0.7623   -0.3905    0.9304 C   0  0  0  0  0
    0.5371    0.7960    1.1053 O   0  0  0  0  0
    0.4716   -1.4333    1.7840 N   0  0  0  0  0
   -0.1352   -1.3472    3.0546 C   0  0  0  0  0
   -0.4454   -0.1402    3.6904 C   0  0  0  0  0
   -1.0671   -0.1369    4.9433 C   0  0  0  0  0
   -1.3771   -1.3406    5.5601 C   0  0  0  0  0
   -1.0671   -2.5498    4.9525 C   0  0  0  0  0
   -0.4418   -2.5532    3.7024 C   0  0  0  0  0
   -1.9819   -1.3364    6.7548 F   0  0  0  0  0
    0.7009   -2.0046   -2.6135 C   0  0  0  0  0
    0.6654   -3.3562   -2.2400 C   0  0  0  0  0
    0.8192   -4.3631   -3.1904 C   0  0  0  0  0
    1.0010   -4.0627   -4.5331 C   0  0  0  0  0
    1.0248   -2.7309   -4.9329 C   0  0  0  0  0
    0.8732   -1.7171   -3.9810 C   0  0  0  0  0
    0.7901   -5.6440   -2.7991 F   0  0  0  0  0
    2.5306    0.0374   -2.0451 H   0  0  0  0  0
    1.3146    1.1757   -1.3251 H   0  0  0  0  0
   -0.4883   -0.5196   -1.5067 H   0  0  0  0  0
    2.1633   -1.5900   -0.2278 H   0  0  0  0  0
    0.6762   -2.3636    1.4461 H   0  0  0  0  0
   -0.2140    0.8206    3.2407 H   0  0  0  0  0
   -1.3107    0.8001    5.4342 H   0  0  0  0  0
   -1.3177   -3.4800    5.4521 H   0  0  0  0  0
   -0.2112   -3.5098    3.2410 H   0  0  0  0  0
    0.5150   -3.6396   -1.2036 H   0  0  0  0  0
    1.1176   -4.8637   -5.2556 H   0  0  0  0  0
    1.1589   -2.4766   -5.9812 H   0  0  0  0  0
    0.8891   -0.6790   -4.3107 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>
CHEMBL3423092

>  <PubChem CID>
118736163

>  <Formula>
C16H13F2NO

>  <Molecular Weight>
273.283000

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

>  <XlogP>
3.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

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

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

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

>  <InChI Key>
BRAZDVBIMMNBLE-CABCVRRESA-N

