3-chloro-N-(4-chloro-3-methoxyphenyl)propanamide

• ChemBase ID: 311937
• Molecular Formular: C10H11Cl2NO2
• Molecular Mass: 248.10584
• Monoisotopic Mass: 247.01668396
• SMILES: C(=O)(Nc1cc(c(cc1)Cl)OC)CCCl
• Canonical SMILES: ClCCC(=O)Nc1ccc(c(c1)OC)Cl
• InChI: InChI=1S/C10H11Cl2NO2/c1-15-9-6-7(2-3-8(9)12)13-10(14)4-5-11/h2-3,6H,4-5H2,1H3,(H,13,14)
• InChIKey: INNNKGKVOJVVKN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 915920-71-7
• MDL Number: MFCD08691773

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.4316862
• LogD (pH = 7.4): 2.431686
• Log P: 2.4316862
• Molar Refractivity: 61.6416 cm^3
• Polarizability: 23.356316 Å^3
• Polar Surface Area: 38.33 Å^2