N-(4-amino-2-fluorophenyl)acetamide

• ChemBase ID: 308766
• Molecular Formular: C8H9FN2O
• Molecular Mass: 168.1682632
• Monoisotopic Mass: 168.06989114
• SMILES: N(c1c(cc(N)cc1)F)C(=O)C
• Canonical SMILES: CC(=O)Nc1ccc(cc1F)N
• InChI: InChI=1S/C8H9FN2O/c1-5(12)11-8-3-2-6(10)4-7(8)9/h2-4H,10H2,1H3,(H,11,12)
• InChIKey: URXXVRGEJLUCNC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-amino-2-fluorophenyl)acetamide
• IUPAC Traditional name: N-(4-amino-2-fluorophenyl)acetamide
• Synonyms: N-(4-amino-2-fluorophenyl)acetamide

Database IDs

• CAS Number: 57165-12-5
• MDL Number: MFCD11695889

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.5230813
• LogD (pH = 7.4): 0.52470946
• Log P: 0.5247322
• Molar Refractivity: 45.8378 cm^3
• Polarizability: 16.06087 Å^3
• Polar Surface Area: 55.12 Å^2