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Oprea1_598741,Oprea1_779811,ZINC00830113,BAS 00737102,N-(3-Benzoylamin

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摘 要:Oprea1_598741,Oprea1_779811,ZINC00830113,BAS 00737102,N-(3-Benzoylamino-4-chloro-phenyl)-2-methyl-benzamide, N-[3-(benzoylamino)-4-chlorophenyl]-2-methylbenzamide,Canonical SMILES: CC1=CC=CC=C1C(=O)NC2=CC(=C(C=C2)Cl)NC(=O)C3=CC=CC=C3,InChI: InChI=1/C
[Synonyms]
Oprea1_598741
Oprea1_779811
ZINC00830113
BAS 00737102
N-(3-Benzoylamino-4-chloro-phenyl)-2-methyl-benzamide

[Structure]
Oprea1_598741,Oprea1_779811,ZINC00830113,BAS 00737102,N-(3-Benzoylamin

[ Properties Computed from Structure]
Molecular Weight364.82488 [g/mol]
Molecular FormulaC21H17ClN2O2
XLogP5
H-Bond Donor2
H-Bond Acceptor2
Rotatable Bond Count4
Tautomer Count4
Exact Mass364.097856
MonoIsotopic Mass364.097856
Topological Polar Surface Area58.2
Heavy Atom Count26
Formal Charge0
Complexity492
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]-2-methylbenzamide
Canonical SMILES: CC1=CC=CC=C1C(=O)NC2=CC(=C(C=C2)Cl)NC(=O)C3=CC=CC=C3
InChI: InChI=1/C21H17ClN2O2/c1-14-7-5-6-10-17(14)21(26)23-16-11-12-18(22)19(13-
16)24-20(25)15-8-3-2-4-9-15/h2-13H,1H3,(H,23,26)(H,24,25)/f/h23-24H

 
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