N-(3,5-dichlorophenyl)-2-[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetamide

• ChemBase ID: 197495
• Molecular Formular: C18H13Cl2NO4
• Molecular Mass: 378.20612
• Monoisotopic Mass: 377.02216326
• SMILES: c12oc(=O)cc(c1ccc(c2)OCC(=O)Nc1cc(cc(c1)Cl)Cl)C
• Canonical SMILES: O=C(Nc1cc(Cl)cc(c1)Cl)COc1ccc2c(c1)oc(=O)cc2C
• InChI: InChI=1S/C18H13Cl2NO4/c1-10-4-18(23)25-16-8-14(2-3-15(10)16)24-9-17(22)21-13-6-11(19)5-12(20)7-13/h2-8H,9H2,1H3,(H,21,22)
• InChIKey: WOTXNCIGUSBVSJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3,5-dichlorophenyl)-2-[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetamide
• IUPAC Traditional name: N-(3,5-dichlorophenyl)-2-[(4-methyl-2-oxochromen-7-yl)oxy]acetamide

Database IDs

• PubChem SID: 164253405
• PubChem CID: 1751208

CALCULATED PROPERTIES

• Acid pKa: 12.314591
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 4.0454574
• LogD (pH = 7.4): 4.0454526
• Log P: 4.0454574
• Molar Refractivity: 96.2653 cm^3
• Polarizability: 36.503307 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