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ZINC00938213,T5427276, 3-chloro-1-[(2-chlorophenyl)methyl]-4-[(3-fluor

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摘 要:ZINC00938213,T5427276, 3-chloro-1-[(2-chlorophenyl)methyl]-4-[(3-fluorophenyl)amino]pyrrole-2,,5-dione,Canonical SMILES: C1=CC=C(C(=C1)CN2C(=O)C(=C(C2=O)Cl)NC3=CC(=CC=C3)F)Cl,InChI: InChI=1/C17H11Cl2FN2O2/c18-13-7-2-1-4-10(13)9-22-16(23)14(19)15(17(2
[Synonyms]
ZINC00938213
T5427276

[Structure]
ZINC00938213,T5427276, 3-chloro-1-[(2-chlorophenyl)methyl]-4-[(3-fluor

[ Properties Computed from Structure]
Molecular Weight365.185843 [g/mol]
Molecular FormulaC17H11Cl2FN2O2
XLogP4.5
H-Bond Donor1
H-Bond Acceptor4
Rotatable Bond Count4
Tautomer Count3
Exact Mass364.018161
MonoIsotopic Mass364.018161
Topological Polar Surface Area49.4
Heavy Atom Count24
Formal Charge0
Complexity555
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: 3-chloro-1-[(2-chlorophenyl)methyl]-4-[(3-fluorophenyl)amino]pyrrole-2,
5-dione
Canonical SMILES: C1=CC=C(C(=C1)CN2C(=O)C(=C(C2=O)Cl)NC3=CC(=CC=C3)F)Cl
InChI: InChI=1/C17H11Cl2FN2O2/c18-13-7-2-1-4-10(13)9-22-16(23)14(19)15(17(22)
24)21-12-6-3-5-11(20)8-12/h1-8,21H,9H2

 
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