2-(4-bromophenyl)-2-methylpropanamide

• ChemBase ID: 308515
• Molecular Formular: C10H12BrNO
• Molecular Mass: 242.11238
• Monoisotopic Mass: 241.01022601
• SMILES: C(C(=O)N)(c1ccc(cc1)Br)(C)C
• Canonical SMILES: NC(=O)C(c1ccc(cc1)Br)(C)C
• InChI: InChI=1S/C10H12BrNO/c1-10(2,9(12)13)7-3-5-8(11)6-4-7/h3-6H,1-2H3,(H2,12,13)
• InChIKey: MNLVTOOFPHQBHB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 850144-81-9
• MDL Number: MFCD07700230

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.6718047
• LogD (pH = 7.4): 2.6718047
• Log P: 2.6718047
• Molar Refractivity: 55.8861 cm^3
• Polarizability: 21.675667 Å^3
• Polar Surface Area: 43.09 Å^2