2-bromo-N-(3,4-dimethylphenyl)acetamide

• ChemBase ID: 307796
• Molecular Formular: C10H12BrNO
• Molecular Mass: 242.11238
• Monoisotopic Mass: 241.01022601
• SMILES: C(=O)(Nc1cc(c(cc1)C)C)CBr
• Canonical SMILES: BrCC(=O)Nc1ccc(c(c1)C)C
• InChI: InChI=1S/C10H12BrNO/c1-7-3-4-9(5-8(7)2)12-10(13)6-11/h3-5H,6H2,1-2H3,(H,12,13)
• InChIKey: IIKSINTWPCYINB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-N-(3,4-dimethylphenyl)acetamide
• IUPAC Traditional name: 2-bromo-N-(3,4-dimethylphenyl)acetamide
• Synonyms: 2-bromo-N-(3,4-dimethylphenyl)acetamide

Database IDs

• CAS Number: 349120-87-2
• MDL Number: MFCD02974355

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.960638
• LogD (pH = 7.4): 2.960638
• Log P: 2.960638
• Molar Refractivity: 58.7401 cm^3
• Polarizability: 21.436779 Å^3
• Polar Surface Area: 29.1 Å^2