2-chloro-N-(4-chloro-3-methoxyphenyl)acetamide

• ChemBase ID: 311980
• Molecular Formular: C9H9Cl2NO2
• Molecular Mass: 234.07926
• Monoisotopic Mass: 233.00103389
• SMILES: c1c(c(ccc1NC(=O)CCl)Cl)OC
• Canonical SMILES: ClCC(=O)Nc1ccc(c(c1)OC)Cl
• InChI: InChI=1S/C9H9Cl2NO2/c1-14-8-4-6(2-3-7(8)11)12-9(13)5-10/h2-4H,5H2,1H3,(H,12,13)
• InChIKey: IBCZFKUUKFFSAW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-(4-chloro-3-methoxyphenyl)acetamide
• IUPAC Traditional name: 2-chloro-N-(4-chloro-3-methoxyphenyl)acetamide
• Synonyms: 2-chloro-N-(4-chloro-3-methoxyphenyl)acetamide

Database IDs

• CAS Number: 875656-37-4
• MDL Number: MFCD08575709

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.1946733
• LogD (pH = 7.4): 2.1946726
• Log P: 2.1946733
• Molar Refractivity: 56.9422 cm^3
• Polarizability: 21.535978 Å^3
• Polar Surface Area: 38.33 Å^2