3-chloro-N-(5-chloro-2-methylphenyl)propanamide

• ChemBase ID: 311935
• Molecular Formular: C10H11Cl2NO
• Molecular Mass: 232.10644
• Monoisotopic Mass: 231.02176934
• SMILES: c1(NC(=O)CCCl)cc(ccc1C)Cl
• Canonical SMILES: ClCCC(=O)Nc1cc(Cl)ccc1C
• InChI: InChI=1S/C10H11Cl2NO/c1-7-2-3-8(12)6-9(7)13-10(14)4-5-11/h2-3,6H,4-5H2,1H3,(H,13,14)
• InChIKey: TYNBNWGHFSBKFW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-chloro-N-(5-chloro-2-methylphenyl)propanamide
• IUPAC Traditional name: 3-chloro-N-(5-chloro-2-methylphenyl)propanamide
• Synonyms: 3-chloro-N-(5-chloro-2-methylphenyl)propanamide

Database IDs

• CAS Number: 544682-32-8
• MDL Number: MFCD03382759

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.102779
• LogD (pH = 7.4): 3.1027787
• Log P: 3.102779
• Molar Refractivity: 60.2196 cm^3
• Polarizability: 22.54042 Å^3
• Polar Surface Area: 29.1 Å^2