2-bromo-N-(3-ethylphenyl)benzamide

• ChemBase ID: 311450
• Molecular Formular: C15H14BrNO
• Molecular Mass: 304.18176
• Monoisotopic Mass: 303.02587607
• SMILES: C(=O)(c1c(Br)cccc1)Nc1cc(ccc1)CC
• Canonical SMILES: CCc1cccc(c1)NC(=O)c1ccccc1Br
• InChI: InChI=1S/C15H14BrNO/c1-2-11-6-5-7-12(10-11)17-15(18)13-8-3-4-9-14(13)16/h3-10H,2H2,1H3,(H,17,18)
• InChIKey: SVGKWOBCVJMQDU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-N-(3-ethylphenyl)benzamide
• IUPAC Traditional name: 2-bromo-N-(3-ethylphenyl)benzamide
• Synonyms: 2-bromo-N-(3-ethylphenyl)benzamide

Database IDs

• CAS Number: 306745-90-4
• MDL Number: MFCD00442704

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 4.7918735
• LogD (pH = 7.4): 4.791873
• Log P: 4.7918735
• Molar Refractivity: 78.8565 cm^3
• Polarizability: 29.241756 Å^3
• Polar Surface Area: 29.1 Å^2