2-bromo-N-[4-(2-methoxyethoxy)phenyl]acetamide

• ChemBase ID: 32281
• Molecular Formular: C11H14BrNO3
• Molecular Mass: 288.13776
• Monoisotopic Mass: 287.01570531
• SMILES: C(=O)(Nc1ccc(cc1)OCCOC)CBr
• Canonical SMILES: BrCC(=O)Nc1ccc(cc1)OCCOC
• InChI: InChI=1S/C11H14BrNO3/c1-15-6-7-16-10-4-2-9(3-5-10)13-11(14)8-12/h2-5H,6-8H2,1H3,(H,13,14)
• InChIKey: UFBFXQZKQDSFEW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-N-[4-(2-methoxyethoxy)phenyl]acetamide
• IUPAC Traditional name: 2-bromo-N-[4-(2-methoxyethoxy)phenyl]acetamide
• Synonyms: 2-Bromo-N-[4-(2-methoxyethoxy)phenyl]acetamide

Database IDs

• MDL Number: MFCD12026563
• PubChem SID: 160995588
• PubChem CID: 46736614

CALCULATED PROPERTIES

• Acid pKa: 14.174175
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.7291485
• LogD (pH = 7.4): 1.7291484
• Log P: 1.7291485
• Molar Refractivity: 66.1644 cm^3
• Polarizability: 24.900578 Å^3
• Polar Surface Area: 47.56 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false