2-[(2-oxo-3-phenyl-2H-chromen-7-yl)oxy]acetamide

• ChemBase ID: 223805
• Molecular Formular: C17H13NO4
• Molecular Mass: 295.28942
• Monoisotopic Mass: 295.0844579
• SMILES: c1(=O)c(cc2c(o1)cc(OCC(=O)N)cc2)c1ccccc1
• Canonical SMILES: NC(=O)COc1ccc2c(c1)oc(=O)c(c2)c1ccccc1
• InChI: InChI=1S/C17H13NO4/c18-16(19)10-21-13-7-6-12-8-14(11-4-2-1-3-5-11)17(20)22-15(12)9-13/h1-9H,10H2,(H2,18,19)
• InChIKey: RXQLNZPEAWRAJD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(2-oxo-3-phenyl-2H-chromen-7-yl)oxy]acetamide
• IUPAC Traditional name: 2-[(2-oxo-3-phenylchromen-7-yl)oxy]acetamide

Database IDs

• PubChem SID: 164279715
• PubChem CID: 7198273

CALCULATED PROPERTIES

• Acid pKa: 14.83778
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.9648168
• LogD (pH = 7.4): 1.9648168
• Log P: 1.9648168
• Molar Refractivity: 80.3707 cm^3
• Polarizability: 30.92727 Å^3
• Polar Surface Area: 78.62 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds