
 MLS003171622

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    4.1934    2.1413    1.9276 C   0  0  0  0  0
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    6.2301    2.9024    0.7616 N   0  0  0  0  0
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    9.9117    4.2300   -0.0582 C   0  0  0  0  0
    8.6784    3.7690    0.2459 N   0  0  0  0  0
    2.2514    1.1800    3.4676 Cl  0  0  0  0  0
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M  END

>  <Chemical Name>
MLS003171622

>  <PubChem CID>
45110765

>  <Formula>
C22H16ClN3O3

>  <Molecular Weight>
405.838000

>  <IUPAC Name>
N-[3-chloro-4-(2,5-dioxo-3-phenylpyrrolidin-1-yl)phenyl]pyridine-2-carboxamide

>  <XlogP>
3.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1C(C(=O)N(C1=O)C2=C(C=C(C=C2)NC(=O)C3=CC=CC=N3)Cl)C4=CC=CC=C4

>  <Isomeric SMILES>
C1C(C(=O)N(C1=O)C2=C(C=C(C=C2)NC(=O)C3=CC=CC=N3)Cl)C4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C22H16ClN3O3/c23-17-12-15(25-21(28)18-8-4-5-11-24-18)9-10-19(17)26-20(27)13-16(22(26)29)14-6-2-1-3-7-14/h1-12,16H,13H2,(H,25,28)

>  <InChI Key>
UYGDCIXFYIWDMR-UHFFFAOYSA-N

