2-amino-N-(3-fluorophenyl)acetamide

• ChemBase ID: 266266
• Molecular Formular: C8H9FN2O
• Molecular Mass: 168.1682632
• Monoisotopic Mass: 168.06989114
• SMILES: C(=O)(Nc1cc(F)ccc1)CN
• Canonical SMILES: NCC(=O)Nc1cccc(c1)F
• InChI: InChI=1S/C8H9FN2O/c9-6-2-1-3-7(4-6)11-8(12)5-10/h1-4H,5,10H2,(H,11,12)
• InChIKey: YOMZAZVCZRABSL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N-(3-fluorophenyl)acetamide
• IUPAC Traditional name: 2-amino-N-(3-fluorophenyl)acetamide
• Synonyms: 2-amino-N-(3-fluorophenyl)acetamide

Database IDs

• MDL Number: MFCD09724302
• PubChem SID: 164322176
• PubChem CID: 22690413

CALCULATED PROPERTIES

• Acid pKa: 13.029744
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.9435272
• LogD (pH = 7.4): -0.24913232
• Log P: 0.42952827
• Molar Refractivity: 44.4971 cm^3
• Polarizability: 16.425896 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 82 - 84°C
• Hydrophobicity(logP): 0.651

Product Information

• Purity: 95%