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ZINC00830118,BAS 00737122,Naphthalene-1-carboxylic acid (3-benzoylamin

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摘 要:ZINC00830118,BAS 00737122,Naphthalene-1-carboxylic acid (3-benzoylamino-4-chloro-phenyl)-amide, N-[3-(benzoylamino)-4-chlorophenyl]naphthalene-1-carboxamide,Canonical SMILES: C1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)NC(=O)C3=CC=CC4=CC=CC=C43)Cl,InChI: InChI=
[Synonyms]
ZINC00830118
BAS 00737122
Naphthalene-1-carboxylic acid (3-benzoylamino-4-chloro-phenyl)-amide

[Structure]
ZINC00830118,BAS 00737122,Naphthalene-1-carboxylic acid (3-benzoylamin

[ Properties Computed from Structure]
Molecular Weight400.85698 [g/mol]
Molecular FormulaC24H17ClN2O2
XLogP5.9
H-Bond Donor2
H-Bond Acceptor2
Rotatable Bond Count4
Tautomer Count4
Exact Mass400.097856
MonoIsotopic Mass400.097856
Topological Polar Surface Area58.2
Heavy Atom Count29
Formal Charge0
Complexity577
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]naphthalene-1-carboxamide
Canonical SMILES: C1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)NC(=O)C3=CC=CC4=CC=CC=C43)Cl
InChI: InChI=1/C24H17ClN2O2/c25-21-14-13-18(15-22(21)27-23(28)17-8-2-1-3-9-17)
26-24(29)20-12-6-10-16-7-4-5-11-19(16)20/h1-15H,(H,26,29)(H,27,
28)/f/h26-27H

 
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