
 CHEMBL3628111

 40 43  0  0  0  0  0  0  0  0999 V2000
    0.3533   -0.0439    0.8277 C   0  0  0  0  0
    1.7939    0.1191    0.5050 C   0  0  0  0  0
    2.4912    1.3166    0.4093 C   0  0  0  0  0
    3.7901    1.0708    0.0475 O   0  0  0  0  0
    3.9294   -0.2767   -0.0449 C   0  0  0  0  0
    2.7367   -0.9054    0.2202 C   0  0  0  0  0
    2.0506    2.6855    0.6221 C   0  0  0  0  0
    0.9850    2.9390    1.1763 O   0  0  0  0  0
    2.9129    3.6340    0.0929 N   0  0  0  0  0
    2.7158    5.0299    0.0525 C   0  0  0  0  0
    1.7156    5.6910    0.7685 C   0  0  0  0  0
    1.5343    7.0751    0.6443 C   0  0  0  0  0
    2.3538    7.8261   -0.2131 C   0  0  0  0  0
    3.3558    7.1584   -0.9318 C   0  0  0  0  0
    3.5515    5.7794   -0.7799 C   0  0  0  0  0
    2.1676    9.2131   -0.4071 N   0  0  0  0  0
    2.1086   10.1374    0.6057 C   0  0  0  0  0
    2.3074   10.0247    1.8005 O   0  0  0  0  0
    1.8584   11.4275   -0.0311 C   0  0  0  0  0
    1.8282   11.2337   -1.4019 C   0  0  0  0  0
    2.0851    9.8113   -1.6431 C   0  0  0  0  0
    2.1802    9.3097   -2.7478 O   0  0  0  0  0
    1.5799   12.2887   -2.2570 C   0  0  0  0  0
    1.3850   13.5577   -1.6941 C   0  0  0  0  0
    1.4435   13.7486   -0.2999 C   0  0  0  0  0
    1.6818   12.6699    0.5521 C   0  0  0  0  0
    1.4841   12.1117   -3.9614 Cl  0  0  0  0  0
    0.1507    7.7517    1.4406 Cl  0  0  0  0  0
   -0.2568    0.6379    0.2252 H   0  0  0  0  0
    0.1702    0.1687    1.8852 H   0  0  0  0  0
    0.0146   -1.0630    0.6175 H   0  0  0  0  0
    4.9174   -0.6315   -0.3047 H   0  0  0  0  0
    2.5623   -1.9729    0.2076 H   0  0  0  0  0
    3.7074    3.2529   -0.4097 H   0  0  0  0  0
    1.0409    5.1499    1.4240 H   0  0  0  0  0
    4.0072    7.7064   -1.6106 H   0  0  0  0  0
    4.3436    5.3016   -1.3523 H   0  0  0  0  0
    1.1846   14.4133   -2.3374 H   0  0  0  0  0
    1.2966   14.7451    0.1137 H   0  0  0  0  0
    1.7264   12.7952    1.6304 H   0  0  0  0  0
  1  2  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  1 31  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 32  1  0  0  0
  6 33  1  0  0  0
  7  9  1  0  0  0
  7  8  2  0  0  0
  9 10  1  0  0  0
  9 34  1  0  0  0
 10 11  2  0  0  0
 10 15  1  0  0  0
 11 12  1  0  0  0
 11 35  1  0  0  0
 12 13  2  0  0  0
 12 28  1  0  0  0
 13 14  1  0  0  0
 13 16  1  0  0  0
 14 15  2  0  0  0
 14 36  1  0  0  0
 15 37  1  0  0  0
 16 17  1  0  0  0
 16 21  1  0  0  0
 17 19  1  0  0  0
 17 18  2  0  0  0
 19 26  1  0  0  0
 19 20  2  0  0  0
 20 21  1  0  0  0
 20 23  1  0  0  0
 21 22  2  0  0  0
 23 24  2  0  0  0
 23 27  1  0  0  0
 24 25  1  0  0  0
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 25 26  2  0  0  0
 25 39  1  0  0  0
 26 40  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3628111

>  <PubChem CID>
122193175

>  <Formula>
C20H12Cl2N2O4

>  <Molecular Weight>
415.226000

>  <IUPAC Name>
N-[3-chloro-4-(4-chloro-1,3-dioxoisoindol-2-yl)phenyl]-3-methylfuran-2-carboxamide

>  <XlogP>
4.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1=C(OC=C1)C(=O)NC2=CC(=C(C=C2)N3C(=O)C4=C(C3=O)C(=CC=C4)Cl)Cl

>  <Isomeric SMILES>
CC1=C(OC=C1)C(=O)NC2=CC(=C(C=C2)N3C(=O)C4=C(C3=O)C(=CC=C4)Cl)Cl

>  <InChI Std. ID>
InChI=1S/C20H12Cl2N2O4/c1-10-7-8-28-17(10)18(25)23-11-5-6-15(14(22)9-11)24-19(26)12-3-2-4-13(21)16(12)20(24)27/h2-9H,1H3,(H,23,25)

>  <InChI Key>
BRKUTQGSVAOCPC-UHFFFAOYSA-N

