
 CHEMBL3357574

 39 42  0  0  0  0  0  0  0  0999 V2000
    0.7317   -0.2750    4.6329 C   0  0  0  0  0
    0.0178   -0.9773    3.6689 C   0  0  0  0  0
    0.6827   -1.3936    2.5223 C   0  0  0  0  0
    1.9931   -1.1594    2.2755 N   0  0  0  0  0
    2.6647   -0.4720    3.2419 C   0  0  0  0  0
    2.0800   -0.0160    4.4200 C   0  0  0  0  0
    4.1171   -0.1991    2.9985 C   0  0  0  0  0
    4.7559    0.4076    3.8537 O   0  0  0  0  0
    4.5947   -0.6660    1.7855 N   0  0  0  0  0
    5.9091   -0.5433    1.2866 C   0  0  0  0  0
    6.9523    0.0306    2.0137 C   0  0  0  0  0
    8.2387    0.1410    1.4709 C   0  0  0  0  0
    8.5104   -0.3281    0.1756 C   0  0  0  0  0
    7.4538   -0.8752   -0.5665 C   0  0  0  0  0
    6.1714   -1.0006   -0.0084 C   0  0  0  0  0
    9.8031   -0.2443   -0.3941 N   0  0  0  0  0
   10.0650    0.1961   -1.6681 C   0  0  0  0  0
    9.3167    0.5731   -2.5502 O   0  0  0  0  0
   11.5193    0.1695   -1.8207 C   0  0  0  0  0
   12.0539   -0.3673   -0.6662 C   0  0  0  0  0
   10.9505   -0.6824    0.2319 C   0  0  0  0  0
   11.0889   -1.3107    1.2643 O   0  0  0  0  0
   13.4111   -0.5378   -0.5265 C   0  0  0  0  0
   14.2429   -0.1352   -1.5724 C   0  0  0  0  0
   13.6967    0.4304   -2.7408 C   0  0  0  0  0
   12.3130    0.5860   -2.8754 C   0  0  0  0  0
   13.9450   -1.0735    0.5763 F   0  0  0  0  0
    9.3924    1.0476    2.3969 Cl  0  0  0  0  0
    0.2470    0.0687    5.5428 H   0  0  0  0  0
   -1.0359   -1.1953    3.8098 H   0  0  0  0  0
    0.1535   -1.9456    1.7495 H   0  0  0  0  0
    2.6636    0.5302    5.1551 H   0  0  0  0  0
    3.8940   -1.1201    1.2035 H   0  0  0  0  0
    6.7927    0.4257    3.0111 H   0  0  0  0  0
    7.6198   -1.2415   -1.5781 H   0  0  0  0  0
    5.3846   -1.4523   -0.6085 H   0  0  0  0  0
   15.3185   -0.2614   -1.4748 H   0  0  0  0  0
   14.3594    0.7470   -3.5447 H   0  0  0  0  0
   11.8756    1.0213   -3.7692 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 29  1  0  0  0
  2  3  1  0  0  0
  2 30  1  0  0  0
  3  4  2  0  0  0
  3 31  1  0  0  0
  4  5  1  0  0  0
  5  6  2  0  0  0
  5  7  1  0  0  0
  6 32  1  0  0  0
  7  9  1  0  0  0
  7  8  2  0  0  0
  9 10  1  0  0  0
  9 33  1  0  0  0
 10 11  2  0  0  0
 10 15  1  0  0  0
 11 12  1  0  0  0
 11 34  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 35  1  0  0  0
 15 36  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
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 25 38  1  0  0  0
 26 39  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3357574

>  <PubChem CID>
45110133

>  <Formula>
C20H11ClFN3O3

>  <Molecular Weight>
395.774000

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

>  <XlogP>
3.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

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

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

>  <InChI Std. ID>
InChI=1S/C20H11ClFN3O3/c21-13-10-11(24-18(26)15-6-1-2-9-23-15)7-8-16(13)25-19(27)12-4-3-5-14(22)17(12)20(25)28/h1-10H,(H,24,26)

>  <InChI Key>
HDLABPAQQVOWQC-UHFFFAOYSA-N

