
 CHEMBL3423098

 33 35  0  0  0  0  0  0  0  0999 V2000
    2.5781    0.0624   -1.5017 C   0  0  0  0  0
    1.7583   -1.2056   -1.5934 C   0  0  0  0  0
    1.7022   -0.3473   -0.3411 C   0  0  0  0  0
    0.5017    0.4966   -0.0555 C   0  0  0  0  0
   -0.0079    1.1436   -0.9606 O   0  0  0  0  0
    0.0622    0.4398    1.2501 N   0  0  0  0  0
   -0.9503    1.2519    1.8198 C   0  0  0  0  0
   -1.3626    2.4531    1.2311 C   0  0  0  0  0
   -2.3614    3.2340    1.8198 C   0  0  0  0  0
   -2.9662    2.8222    3.0036 C   0  0  0  0  0
   -2.5559    1.6377    3.6138 C   0  0  0  0  0
   -1.5436    0.8651    3.0336 C   0  0  0  0  0
   -1.0679   -0.5940    3.8337 Cl  0  0  0  0  0
    2.5150   -2.5131   -1.6430 C   0  0  0  0  0
    3.4578   -2.7475   -2.6611 C   0  0  0  0  0
    4.1783   -3.9398   -2.7221 C   0  0  0  0  0
    3.9696   -4.9360   -1.7752 C   0  0  0  0  0
    3.0279   -4.7366   -0.7678 C   0  0  0  0  0
    2.3068   -3.5388   -0.7071 C   0  0  0  0  0
    5.3347   -4.1759   -3.9746 Cl  0  0  0  0  0
    3.6512   -0.0019   -1.3639 H   0  0  0  0  0
    2.2695    0.8968   -2.1244 H   0  0  0  0  0
    0.8775   -1.1634   -2.2344 H   0  0  0  0  0
    2.2281   -0.7147    0.5343 H   0  0  0  0  0
    0.4074   -0.3113    1.8365 H   0  0  0  0  0
   -0.9049    2.8240    0.3177 H   0  0  0  0  0
   -2.6636    4.1657    1.3455 H   0  0  0  0  0
   -3.7524    3.4257    3.4506 H   0  0  0  0  0
   -3.0313    1.3207    4.5384 H   0  0  0  0  0
    3.6302   -1.9783   -3.4114 H   0  0  0  0  0
    4.5308   -5.8655   -1.8190 H   0  0  0  0  0
    2.8526   -5.5141   -0.0280 H   0  0  0  0  0
    1.5718   -3.4068    0.0839 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>
CHEMBL3423098

>  <PubChem CID>
118736169

>  <Formula>
C16H13Cl2NO

>  <Molecular Weight>
306.186000

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

>  <XlogP>
4.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
1

>  <Canonical SMILES>
C1C(C1C(=O)NC2=CC=CC=C2Cl)C3=CC(=CC=C3)Cl

>  <Isomeric SMILES>
C1[C@@H]([C@H]1C(=O)NC2=CC=CC=C2Cl)C3=CC(=CC=C3)Cl

>  <InChI Std. ID>
InChI=1S/C16H13Cl2NO/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>
DHQKNURZKWSXFF-OLZOCXBDSA-N

