2-[2-(4-bromophenyl)-2-oxoethoxy]benzamide

• ChemBase ID: 311387
• Molecular Formular: C15H12BrNO3
• Molecular Mass: 334.16468
• Monoisotopic Mass: 333.00005525
• SMILES: c1(C(=O)N)c(OCC(=O)c2ccc(cc2)Br)cccc1
• Canonical SMILES: Brc1ccc(cc1)C(=O)COc1ccccc1C(=O)N
• InChI: InChI=1S/C15H12BrNO3/c16-11-7-5-10(6-8-11)13(18)9-20-14-4-2-1-3-12(14)15(17)19/h1-8H,9H2,(H2,17,19)
• InChIKey: MMOPIDSPFSNPKK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[2-(4-bromophenyl)-2-oxoethoxy]benzamide
• IUPAC Traditional name: 2-[2-(4-bromophenyl)-2-oxoethoxy]benzamide
• Synonyms: 2-[2-(4-bromophenyl)-2-oxoethoxy]benzamide

Database IDs

• CAS Number: 337925-74-3
• MDL Number: MFCD02048336

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.6671896
• LogD (pH = 7.4): 2.66719
• Log P: 2.6671898
• Molar Refractivity: 79.1241 cm^3
• Polarizability: 29.982126 Å^3
• Polar Surface Area: 69.39 Å^2