N-(4,7-dimethyl-2-oxo-2H-chromen-6-yl)benzamide

• ChemBase ID: 186606
• Molecular Formular: C18H15NO3
• Molecular Mass: 293.3166
• Monoisotopic Mass: 293.10519335
• SMILES: c12c(c(cc(=O)o1)C)cc(NC(=O)c1ccccc1)c(c2)C
• Canonical SMILES: O=c1cc(C)c2c(o1)cc(c(c2)NC(=O)c1ccccc1)C
• InChI: InChI=1S/C18H15NO3/c1-11-9-17(20)22-16-8-12(2)15(10-14(11)16)19-18(21)13-6-4-3-5-7-13/h3-10H,1-2H3,(H,19,21)
• InChIKey: SGZAOMHFLBEEGH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4,7-dimethyl-2-oxo-2H-chromen-6-yl)benzamide
• IUPAC Traditional name: N-(4,7-dimethyl-2-oxochromen-6-yl)benzamide

Database IDs

• PubChem SID: 164242516
• PubChem CID: 933093

CALCULATED PROPERTIES

• Acid pKa: 11.622124
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.68806
• LogD (pH = 7.4): 3.6880357
• Log P: 3.6880605
• Molar Refractivity: 86.4053 cm^3
• Polarizability: 31.908236 Å^3
• Polar Surface Area: 55.4 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds