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ZINC00882236,BAS 02822332,Furan-2-carboxylic acid (2-methyl-4-phenylac

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摘 要:ZINC00882236,BAS 02822332,Furan-2-carboxylic acid (2-methyl-4-phenylacetylamino-phenyl)-amide, N-[2-methyl-4-[(2-phenylacetyl)amino]phenyl]furan-2-carboxamide,Canonical SMILES: CC1=C(C=CC(=C1)NC(=O)CC2=CC=CC=C2)NC(=O)C3=CC=CO3,InChI: InChI=1/C20H18N2
[Synonyms]
ZINC00882236
BAS 02822332
Furan-2-carboxylic acid (2-methyl-4-phenylacetylamino-phenyl)-amide

[Structure]
ZINC00882236,BAS 02822332,Furan-2-carboxylic acid (2-methyl-4-phenylac

[ Properties Computed from Structure]
Molecular Weight334.36852 [g/mol]
Molecular FormulaC20H18N2O3
XLogP2.3
H-Bond Donor2
H-Bond Acceptor3
Rotatable Bond Count5
Tautomer Count4
Exact Mass334.131742
MonoIsotopic Mass334.131742
Topological Polar Surface Area71.3
Heavy Atom Count25
Formal Charge0
Complexity462
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-[2-methyl-4-[(2-phenylacetyl)amino]phenyl]furan-2-carboxamide
Canonical SMILES: CC1=C(C=CC(=C1)NC(=O)CC2=CC=CC=C2)NC(=O)C3=CC=CO3
InChI: InChI=1/C20H18N2O3/c1-14-12-16(21-19(23)13-15-6-3-2-4-7-15)9-10-17(14)
22-20(24)18-8-5-11-25-18/h2-12H,13H2,1H3,(H,21,23)(H,22,24)/f/h21-22H

 
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