N-(2-chlorophenyl)-2-[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetamide

• ChemBase ID: 197480
• Molecular Formular: C18H14ClNO4
• Molecular Mass: 343.76106
• Monoisotopic Mass: 343.06113561
• SMILES: c12oc(=O)cc(c1ccc(c2)OCC(=O)Nc1c(Cl)cccc1)C
• Canonical SMILES: O=C(Nc1ccccc1Cl)COc1ccc2c(c1)oc(=O)cc2C
• InChI: InChI=1S/C18H14ClNO4/c1-11-8-18(22)24-16-9-12(6-7-13(11)16)23-10-17(21)20-15-5-3-2-4-14(15)19/h2-9H,10H2,1H3,(H,20,21)
• InChIKey: MESKUUFOYIOMLI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-chlorophenyl)-2-[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetamide
• IUPAC Traditional name: N-(2-chlorophenyl)-2-[(4-methyl-2-oxochromen-7-yl)oxy]acetamide

Database IDs

• PubChem SID: 164253390
• PubChem CID: 728654

CALCULATED PROPERTIES

• Acid pKa: 11.780621
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.4414127
• LogD (pH = 7.4): 3.4413955
• Log P: 3.441413
• Molar Refractivity: 91.4605 cm^3
• Polarizability: 34.59595 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