2-bromo-N-(naphthalen-1-yl)acetamide

• ChemBase ID: 32222
• Molecular Formular: C12H10BrNO
• Molecular Mass: 264.1179
• Monoisotopic Mass: 262.99457595
• SMILES: c1(NC(=O)CBr)c2c(ccc1)cccc2
• Canonical SMILES: BrCC(=O)Nc1cccc2c1cccc2
• InChI: InChI=1S/C12H10BrNO/c13-8-12(15)14-11-7-3-5-9-4-1-2-6-10(9)11/h1-7H,8H2,(H,14,15)
• InChIKey: YTXQWCWHEKIEDH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-N-(naphthalen-1-yl)acetamide
• IUPAC Traditional name: 2-bromo-N-(naphthalen-1-yl)acetamide
• Synonyms: 2-Bromo-N-(1-naphthyl)acetamide

Database IDs

• MDL Number: MFCD06149128
• PubChem SID: 160995529
• PubChem CID: 532215

CALCULATED PROPERTIES

• Acid pKa: 13.015069
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.923272
• LogD (pH = 7.4): 2.923271
• Log P: 2.923272
• Molar Refractivity: 65.1079 cm^3
• Polarizability: 25.294357 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false