2-(4-bromophenyl)-N-ethylacetamide

• ChemBase ID: 311660
• Molecular Formular: C10H12BrNO
• Molecular Mass: 242.11238
• Monoisotopic Mass: 241.01022601
• SMILES: C(=O)(Cc1ccc(Br)cc1)NCC
• Canonical SMILES: CCNC(=O)Cc1ccc(cc1)Br
• InChI: InChI=1S/C10H12BrNO/c1-2-12-10(13)7-8-3-5-9(11)6-4-8/h3-6H,2,7H2,1H3,(H,12,13)
• InChIKey: WYMOWHKSHZGGNX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 223555-90-6
• MDL Number: MFCD02860731

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.1532881
• LogD (pH = 7.4): 2.1532881
• Log P: 2.1532881
• Molar Refractivity: 56.4559 cm^3
• Polarizability: 21.676485 Å^3
• Polar Surface Area: 29.1 Å^2