N-(4-bromophenyl)-2-methylpropanamide

• ChemBase ID: 310816
• Molecular Formular: C10H12BrNO
• Molecular Mass: 242.11238
• Monoisotopic Mass: 241.01022601
• SMILES: C(=O)(Nc1ccc(Br)cc1)C(C)C
• Canonical SMILES: CC(C(=O)Nc1ccc(cc1)Br)C
• InChI: InChI=1S/C10H12BrNO/c1-7(2)10(13)12-9-5-3-8(11)4-6-9/h3-7H,1-2H3,(H,12,13)
• InChIKey: AVQYIQZFJLEKGK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-bromophenyl)-2-methylpropanamide
• IUPAC Traditional name: N-(4-bromophenyl)-2-methylpropanamide
• Synonyms: N-(4-bromophenyl)-2-methylpropanamide

Database IDs

• CAS Number: 7160-08-9
• MDL Number: MFCD00774531

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.2232308
• LogD (pH = 7.4): 3.2232308
• Log P: 3.2232308
• Molar Refractivity: 57.7452 cm^3
• Polarizability: 21.66752 Å^3
• Polar Surface Area: 29.1 Å^2