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

• ChemBase ID: 56126
• Molecular Formular: C10H12BrNO2
• Molecular Mass: 258.11178
• Monoisotopic Mass: 257.00514063
• SMILES: C(C(=O)Nc1ccc(cc1)OCC)Br
• Canonical SMILES: CCOc1ccc(cc1)NC(=O)CBr
• InChI: InChI=1S/C10H12BrNO2/c1-2-14-9-5-3-8(4-6-9)12-10(13)7-11/h3-6H,2,7H2,1H3,(H,12,13)
• InChIKey: TZIRDACISGFECB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD02974373
• PubChem SID: 162060889
• PubChem CID: 3415348

CALCULATED PROPERTIES

• Acid pKa: 14.181397
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.132932
• LogD (pH = 7.4): 2.132932
• Log P: 2.132932
• Molar Refractivity: 59.8695 cm^3
• Polarizability: 22.323816 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