N-(3-bromophenyl)-2-methylpropanamide

• ChemBase ID: 310997
• Molecular Formular: C10H12BrNO
• Molecular Mass: 242.11238
• Monoisotopic Mass: 241.01022601
• SMILES: C(=O)(Nc1cc(Br)ccc1)C(C)C
• Canonical SMILES: O=C(C(C)C)Nc1cccc(c1)Br
• InChI: InChI=1S/C10H12BrNO/c1-7(2)10(13)12-9-5-3-4-8(11)6-9/h3-7H,1-2H3,(H,12,13)
• InChIKey: NKBABBOSWOTEAD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-bromophenyl)-2-methylpropanamide
• IUPAC Traditional name: N-(3-bromophenyl)-2-methylpropanamide
• Synonyms: N-(3-bromophenyl)-2-methylpropanamide

Database IDs

• CAS Number: 39241-02-6
• MDL Number: MFCD01214249

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: 21.667772 Å^3
• Polar Surface Area: 29.1 Å^2