2-bromo-N-(4-methylphenyl)propanamide

• ChemBase ID: 307844
• Molecular Formular: C10H12BrNO
• Molecular Mass: 242.11238
• Monoisotopic Mass: 241.01022601
• SMILES: C(=O)(Nc1ccc(cc1)C)C(Br)C
• Canonical SMILES: O=C(C(Br)C)Nc1ccc(cc1)C
• InChI: InChI=1S/C10H12BrNO/c1-7-3-5-9(6-4-7)12-10(13)8(2)11/h3-6,8H,1-2H3,(H,12,13)
• InChIKey: TZDLHQHUDYMDAF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-N-(4-methylphenyl)propanamide
• IUPAC Traditional name: 2-bromo-N-(4-methylphenyl)propanamide
• Synonyms: 2-bromo-N-(4-methylphenyl)propanamide

Database IDs

• CAS Number: 58532-75-5
• MDL Number: MFCD00466382

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.015981
• LogD (pH = 7.4): 3.0159807
• Log P: 3.015981
• Molar Refractivity: 58.1928 cm^3
• Polarizability: 21.509775 Å^3
• Polar Surface Area: 29.1 Å^2