
 CHEMBL3423091

 33 35  0  0  0  0  0  0  0  0999 V2000
    2.0109   -0.2697   -1.5597 C   0  0  0  0  0
    1.2380   -1.5525   -1.3706 C   0  0  0  0  0
    1.8149   -0.8158   -0.1689 C   0  0  0  0  0
    0.8548   -0.1691    0.7771 C   0  0  0  0  0
   -0.2304    0.2163    0.3627 O   0  0  0  0  0
    1.3231   -0.0672    2.0672 N   0  0  0  0  0
    0.5958    0.3786    3.1940 C   0  0  0  0  0
   -0.7801    0.6202    3.1885 C   0  0  0  0  0
   -1.4292    1.0480    4.3531 C   0  0  0  0  0
   -0.7109    1.2402    5.5314 C   0  0  0  0  0
    0.6599    0.9956    5.5525 C   0  0  0  0  0
    1.2974    0.5623    4.3920 C   0  0  0  0  0
    2.6189    0.3242    4.4280 F   0  0  0  0  0
    1.8179   -2.8722   -1.8097 C   0  0  0  0  0
    2.1486   -3.1037   -3.1537 C   0  0  0  0  0
    2.6401   -4.3393   -3.5645 C   0  0  0  0  0
    2.8150   -5.3774   -2.6600 C   0  0  0  0  0
    2.4879   -5.1768   -1.3227 C   0  0  0  0  0
    1.9899   -3.9375   -0.9069 C   0  0  0  0  0
    2.9409   -4.5319   -4.8556 F   0  0  0  0  0
    3.0057   -0.3160   -1.9874 H   0  0  0  0  0
    1.4508    0.6139   -1.8486 H   0  0  0  0  0
    0.1600   -1.4710   -1.5139 H   0  0  0  0  0
    2.7027   -1.2414    0.2893 H   0  0  0  0  0
    2.2974   -0.2882    2.2418 H   0  0  0  0  0
   -1.3828    0.4704    2.2979 H   0  0  0  0  0
   -2.5023    1.2271    4.3303 H   0  0  0  0  0
   -1.2226    1.5777    6.4299 H   0  0  0  0  0
    1.2342    1.1396    6.4621 H   0  0  0  0  0
    2.0115   -2.3209   -3.8944 H   0  0  0  0  0
    3.1949   -6.3336   -3.0041 H   0  0  0  0  0
    2.6088   -5.9833   -0.6042 H   0  0  0  0  0
    1.7184   -3.8045    0.1390 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 28  1  0  0  0
 11 12  2  0  0  0
 11 29  1  0  0  0
 12 13  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>
CHEMBL3423091

>  <PubChem CID>
118736162

>  <Formula>
C16H13F2NO

>  <Molecular Weight>
273.283000

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

>  <XlogP>
3.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1C(C1C(=O)NC2=CC=CC=C2F)C3=CC(=CC=C3)F

>  <Isomeric SMILES>
C1[C@@H]([C@H]1C(=O)NC2=CC=CC=C2F)C3=CC(=CC=C3)F

>  <InChI Std. ID>
InChI=1S/C16H13F2NO/c17-11-5-3-4-10(8-11)12-9-13(12)16(20)19-15-7-2-1-6-14(15)18/h1-8,12-13H,9H2,(H,19,20)/t12-,13+/m1/s1

>  <InChI Key>
SUXRSSCFJPISJW-OLZOCXBDSA-N

