
 CHEMBL3628112

 40 43  0  0  0  0  0  0  0  0999 V2000
   -0.1001    0.2669   -1.4197 C   0  0  0  0  0
    1.1403    0.3192   -0.6043 C   0  0  0  0  0
    1.7920    1.4621   -0.1595 C   0  0  0  0  0
    2.9215    1.1139    0.5334 O   0  0  0  0  0
    2.9710   -0.2437    0.5585 C   0  0  0  0  0
    1.9075   -0.7781   -0.1269 C   0  0  0  0  0
    1.4513    2.8634   -0.3257 C   0  0  0  0  0
    0.3590    3.2141   -0.7599 O   0  0  0  0  0
    2.4802    3.7312    0.0177 N   0  0  0  0  0
    2.4805    5.1356   -0.0812 C   0  0  0  0  0
    1.3671    5.8912   -0.4528 C   0  0  0  0  0
    1.4372    7.2884   -0.5518 C   0  0  0  0  0
    2.6361    7.9654   -0.2763 C   0  0  0  0  0
    3.7614    7.2008    0.0682 C   0  0  0  0  0
    3.6799    5.8058    0.1826 C   0  0  0  0  0
    2.7521    9.3741   -0.3646 N   0  0  0  0  0
    1.8673   10.2644    0.2029 C   0  0  0  0  0
    0.9248   10.0882    0.9542 O   0  0  0  0  0
    2.3440   11.6005   -0.1456 C   0  0  0  0  0
    3.5327   11.4561   -0.8348 C   0  0  0  0  0
    3.8198   10.0274   -0.9311 C   0  0  0  0  0
    4.8332    9.5972   -1.4503 O   0  0  0  0  0
    4.2466   12.5401   -1.3078 C   0  0  0  0  0
    3.7169   13.8054   -1.0479 C   0  0  0  0  0
    2.5127   13.9616   -0.3307 C   0  0  0  0  0
    1.8090   12.8440    0.1332 C   0  0  0  0  0
    4.5508   15.2017   -1.6098 Cl  0  0  0  0  0
    0.0443    8.0817   -1.2151 Cl  0  0  0  0  0
   -0.0070    0.9090   -2.3020 H   0  0  0  0  0
   -0.9594    0.6065   -0.8324 H   0  0  0  0  0
   -0.3031   -0.7500   -1.7682 H   0  0  0  0  0
    3.8065   -0.6746    1.0908 H   0  0  0  0  0
    1.7055   -1.8317   -0.2692 H   0  0  0  0  0
    3.3324    3.2758    0.3232 H   0  0  0  0  0
    0.4213    5.4187   -0.6954 H   0  0  0  0  0
    4.7152    7.6807    0.2796 H   0  0  0  0  0
    4.5748    5.2555    0.4660 H   0  0  0  0  0
    5.1724   12.4047   -1.8567 H   0  0  0  0  0
    2.1236   14.9591   -0.1338 H   0  0  0  0  0
    0.8817   12.9459    0.6894 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 21  1  0  0  0
 16 17  1  0  0  0
 17 19  1  0  0  0
 17 18  2  0  0  0
 19 20  2  0  0  0
 19 26  1  0  0  0
 20 23  1  0  0  0
 20 21  1  0  0  0
 21 22  2  0  0  0
 23 24  2  0  0  0
 23 38  1  0  0  0
 24 25  1  0  0  0
 24 27  1  0  0  0
 25 26  2  0  0  0
 25 39  1  0  0  0
 26 40  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3628112

>  <PubChem CID>
122193176

>  <Formula>
C20H12Cl2N2O4

>  <Molecular Weight>
415.226000

>  <IUPAC Name>
N-[3-chloro-4-(5-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=C(C=C4)Cl)Cl

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

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

>  <InChI Key>
DCYOTMCWHBEKAQ-UHFFFAOYSA-N

