2-bromo-N-(4-phenoxyphenyl)acetamide

• ChemBase ID: 32229
• Molecular Formular: C14H12BrNO2
• Molecular Mass: 306.15458
• Monoisotopic Mass: 305.00514063
• SMILES: C(=O)(Nc1ccc(Oc2ccccc2)cc1)CBr
• Canonical SMILES: BrCC(=O)Nc1ccc(cc1)Oc1ccccc1
• InChI: InChI=1S/C14H12BrNO2/c15-10-14(17)16-11-6-8-13(9-7-11)18-12-4-2-1-3-5-12/h1-9H,10H2,(H,16,17)
• InChIKey: FSZPGUBKBFDUMK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-N-(4-phenoxyphenyl)acetamide
• IUPAC Traditional name: 2-bromo-N-(4-phenoxyphenyl)acetamide
• Synonyms: 2-Bromo-N-(4-phenoxyphenyl)acetamide

Database IDs

• MDL Number: MFCD02660712
• PubChem SID: 160995536
• PubChem CID: 46736581

CALCULATED PROPERTIES

• Acid pKa: 14.047443
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.4340825
• LogD (pH = 7.4): 3.4340823
• Log P: 3.4340825
• Molar Refractivity: 74.8985 cm^3
• Polarizability: 28.192162 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false