4-methoxy-N-(4-oxo-2-phenyl-4H-chromen-6-yl)benzamide

• ChemBase ID: 221093
• Molecular Formular: C23H17NO4
• Molecular Mass: 371.38538
• Monoisotopic Mass: 371.11575803
• SMILES: c1(cc(=O)c2c(o1)ccc(NC(=O)c1ccc(cc1)OC)c2)c1ccccc1
• Canonical SMILES: COc1ccc(cc1)C(=O)Nc1ccc2c(c1)c(=O)cc(o2)c1ccccc1
• InChI: InChI=1S/C23H17NO4/c1-27-18-10-7-16(8-11-18)23(26)24-17-9-12-21-19(13-17)20(25)14-22(28-21)15-5-3-2-4-6-15/h2-14H,1H3,(H,24,26)
• InChIKey: FHNNEFYNEXWIDY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methoxy-N-(4-oxo-2-phenyl-4H-chromen-6-yl)benzamide
• IUPAC Traditional name: 4-methoxy-N-(4-oxo-2-phenylchromen-6-yl)benzamide

Database IDs

• PubChem SID: 164277003
• PubChem CID: 18568705

CALCULATED PROPERTIES

• Acid pKa: 10.9173155
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.901597
• LogD (pH = 7.4): 3.9014733
• Log P: 3.9015987
• Molar Refractivity: 108.9679 cm^3
• Polarizability: 40.388645 Å^3
• Polar Surface Area: 64.63 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds