2-(3-fluoro-4-methoxyphenyl)acetamide

• ChemBase ID: 269693
• Molecular Formular: C9H10FNO2
• Molecular Mass: 183.1796032
• Monoisotopic Mass: 183.06955679
• SMILES: c1(c(ccc(c1)CC(=O)N)OC)F
• Canonical SMILES: COc1ccc(cc1F)CC(=O)N
• InChI: InChI=1S/C9H10FNO2/c1-13-8-3-2-6(4-7(8)10)5-9(11)12/h2-4H,5H2,1H3,(H2,11,12)
• InChIKey: DGWHYCIOECGKKS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-fluoro-4-methoxyphenyl)acetamide
• IUPAC Traditional name: 2-(3-fluoro-4-methoxyphenyl)acetamide
• Synonyms: 2-(3-fluoro-4-methoxyphenyl)acetamide

Database IDs

• MDL Number: MFCD11643538
• PubChem SID: 164325603
• PubChem CID: 39969505

CALCULATED PROPERTIES

• Acid pKa: 14.882513
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.78908217
• LogD (pH = 7.4): 0.78908217
• Log P: 0.78908217
• Molar Refractivity: 45.8674 cm^3
• Polarizability: 17.457296 Å^3
• Polar Surface Area: 52.32 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 173 - 175°C
• Hydrophobicity(logP): 0.456

Product Information

• Purity: 95%