2-{[4-(1-benzofuran-2-yl)-2-oxo-2H-chromen-6-yl]oxy}acetamide

• ChemBase ID: 223606
• Molecular Formular: C19H13NO5
• Molecular Mass: 335.31022
• Monoisotopic Mass: 335.07937252
• SMILES: c1(c2c3c(oc(=O)c2)ccc(c3)OCC(=O)N)oc2c(c1)cccc2
• Canonical SMILES: NC(=O)COc1ccc2c(c1)c(cc(=O)o2)c1cc2c(o1)cccc2
• InChI: InChI=1S/C19H13NO5/c20-18(21)10-23-12-5-6-16-13(8-12)14(9-19(22)25-16)17-7-11-3-1-2-4-15(11)24-17/h1-9H,10H2,(H2,20,21)
• InChIKey: CSJUDTICUMFRFG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{[4-(1-benzofuran-2-yl)-2-oxo-2H-chromen-6-yl]oxy}acetamide
• IUPAC Traditional name: 2-{[4-(1-benzofuran-2-yl)-2-oxochromen-6-yl]oxy}acetamide

Database IDs

• PubChem SID: 164279516
• PubChem CID: 7295578

CALCULATED PROPERTIES

• Acid pKa: 14.818143
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.8090521
• LogD (pH = 7.4): 1.8090521
• Log P: 1.8090521
• Molar Refractivity: 98.1899 cm^3
• Polarizability: 35.228596 Å^3
• Polar Surface Area: 91.76 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds