
 CHEMBL3786739

 41 44  0  0  0  0  0  0  0  0999 V2000
   -2.0759    3.3257    3.4694 C   0  0  0  0  0
   -0.7722    2.6285    3.3327 C   0  0  0  0  0
    0.4146    3.1663    2.8511 C   0  0  0  0  0
    1.3909    2.2025    2.8457 O   0  0  0  0  0
    0.8382    1.0694    3.3485 C   0  0  0  0  0
   -0.4841    1.2740    3.6578 C   0  0  0  0  0
    0.7380    4.5038    2.3832 C   0  0  0  0  0
   -0.0238    5.4524    2.5570 O   0  0  0  0  0
    1.9468    4.5676    1.7121 N   0  0  0  0  0
    2.5372    5.6903    1.1045 C   0  0  0  0  0
    2.0450    6.9871    1.2288 C   0  0  0  0  0
    2.6844    8.0591    0.5928 C   0  0  0  0  0
    3.8289    7.8685   -0.1926 C   0  0  0  0  0
    4.3149    6.5628   -0.3138 C   0  0  0  0  0
    3.6833    5.4889    0.3336 C   0  0  0  0  0
    4.4613    8.9745   -0.8219 N   0  0  0  0  0
    4.0115   10.3449   -0.6054 C   0  0  0  0  0
    4.9729   11.1580   -1.3966 C   0  0  0  0  0
    5.8809   10.3232   -2.0355 C   0  0  0  0  0
    5.5656    8.9332   -1.6792 C   0  0  0  0  0
    6.2124    7.9956   -2.1085 O   0  0  0  0  0
    6.8931   10.8030   -2.8480 C   0  0  0  0  0
    6.9880   12.1865   -3.0129 C   0  0  0  0  0
    6.0785   13.0440   -2.3685 C   0  0  0  0  0
    5.0643   12.5266   -1.5561 C   0  0  0  0  0
    3.9631   13.5875   -0.7745 Cl  0  0  0  0  0
   -2.3093    3.8954    2.5638 H   0  0  0  0  0
   -2.0546    4.0152    4.3190 H   0  0  0  0  0
   -2.8897    2.6106    3.6281 H   0  0  0  0  0
    1.4996    0.2171    3.4216 H   0  0  0  0  0
   -1.1631    0.5376    4.0656 H   0  0  0  0  0
    2.4229    3.6770    1.6096 H   0  0  0  0  0
    1.1665    7.2114    1.8249 H   0  0  0  0  0
    2.2449    9.0420    0.7353 H   0  0  0  0  0
    5.1991    6.3397   -0.9042 H   0  0  0  0  0
    4.1032    4.4935    0.2081 H   0  0  0  0  0
    2.9935   10.4632   -0.9905 H   0  0  0  0  0
    4.0772   10.5889    0.4600 H   0  0  0  0  0
    7.5869   10.1236   -3.3338 H   0  0  0  0  0
    7.7708   12.6044   -3.6420 H   0  0  0  0  0
    6.1716   14.1195   -2.5069 H   0  0  0  0  0
  1  2  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  2  3  2  0  0  0
  2  6  1  0  0  0
  3  4  1  0  0  0
  3  7  1  0  0  0
  4  5  1  0  0  0
  5  6  2  0  0  0
  5 30  1  0  0  0
  6 31  1  0  0  0
  7  9  1  0  0  0
  7  8  2  0  0  0
  9 10  1  0  0  0
  9 32  1  0  0  0
 10 11  2  0  0  0
 10 15  1  0  0  0
 11 12  1  0  0  0
 11 33  1  0  0  0
 12 13  2  0  0  0
 12 34  1  0  0  0
 13 14  1  0  0  0
 13 16  1  0  0  0
 14 15  2  0  0  0
 14 35  1  0  0  0
 15 36  1  0  0  0
 16 17  1  0  0  0
 16 20  1  0  0  0
 17 18  1  0  0  0
 17 37  1  0  0  0
 17 38  1  0  0  0
 18 25  1  0  0  0
 18 19  2  0  0  0
 19 20  1  0  0  0
 19 22  1  0  0  0
 20 21  2  0  0  0
 22 23  2  0  0  0
 22 39  1  0  0  0
 23 24  1  0  0  0
 23 40  1  0  0  0
 24 25  2  0  0  0
 24 41  1  0  0  0
 25 26  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3786739

>  <PubChem CID>
127034514

>  <Formula>
C20H15ClN2O3

>  <Molecular Weight>
366.801000

>  <IUPAC Name>
N-[4-(7-chloro-3-oxo-1H-isoindol-2-yl)phenyl]-3-methylfuran-2-carboxamide

>  <XlogP>
3.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC1=C(OC=C1)C(=O)NC2=CC=C(C=C2)N3CC4=C(C3=O)C=CC=C4Cl

>  <Isomeric SMILES>
CC1=C(OC=C1)C(=O)NC2=CC=C(C=C2)N3CC4=C(C3=O)C=CC=C4Cl

>  <InChI Std. ID>
InChI=1S/C20H15ClN2O3/c1-12-9-10-26-18(12)19(24)22-13-5-7-14(8-6-13)23-11-16-15(20(23)25)3-2-4-17(16)21/h2-10H,11H2,1H3,(H,22,24)

>  <InChI Key>
AUUPSFFSNGOHPV-UHFFFAOYSA-N

