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Oprea1_117384,Oprea1_385094,ZINC00830110, N-[3-(benzoylamino)-4-chloro

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摘 要:Oprea1_117384,Oprea1_385094,ZINC00830110, N-[3-(benzoylamino)-4-chlorophenyl]-3-fluorobenzamide,Canonical SMILES: C1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)NC(=O)C3=CC(=CC=C3)F)Cl,InChI: InChI=1/C20H14ClFN2O2/c21-17-10-9-16(23-20(26)14-7-4-8-15(22)11-14)12-18
[Synonyms]
Oprea1_117384
Oprea1_385094
ZINC00830110

[Structure]
Oprea1_117384,Oprea1_385094,ZINC00830110, N-[3-(benzoylamino)-4-chloro

[ Properties Computed from Structure]
Molecular Weight368.788763 [g/mol]
Molecular FormulaC20H14ClFN2O2
XLogP4.7
H-Bond Donor2
H-Bond Acceptor3
Rotatable Bond Count4
Tautomer Count4
Exact Mass368.072784
MonoIsotopic Mass368.072784
Topological Polar Surface Area58.2
Heavy Atom Count26
Formal Charge0
Complexity498
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: N-[3-(benzoylamino)-4-chlorophenyl]-3-fluorobenzamide
Canonical SMILES: C1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)NC(=O)C3=CC(=CC=C3)F)Cl
InChI: InChI=1/C20H14ClFN2O2/c21-17-10-9-16(23-20(26)14-7-4-8-15(22)11-14)12-18
(17)24-19(25)13-5-2-1-3-6-13/h1-12H,(H,23,26)(H,24,25)/f/h23-24H

 
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