N-(3-bromo-4-chlorophenyl)-2-(4-methoxyphenyl)acetamide

• ChemBase ID: 311876
• Molecular Formular: C15H13BrClNO2
• Molecular Mass: 354.62622
• Monoisotopic Mass: 352.98181834
• SMILES: C(=O)(Nc1cc(c(cc1)Cl)Br)Cc1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)CC(=O)Nc1ccc(c(c1)Br)Cl
• InChI: InChI=1S/C15H13BrClNO2/c1-20-12-5-2-10(3-6-12)8-15(19)18-11-4-7-14(17)13(16)9-11/h2-7,9H,8H2,1H3,(H,18,19)
• InChIKey: FRROQLPKRQCCOM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 591226-55-0
• MDL Number: MFCD03711602

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 4.260422
• LogD (pH = 7.4): 4.2604218
• Log P: 4.260422
• Molar Refractivity: 84.5337 cm^3
• Polarizability: 32.004433 Å^3
• Polar Surface Area: 38.33 Å^2