4-amino-2-fluorobenzamide

• ChemBase ID: 268429
• Molecular Formular: C7H7FN2O
• Molecular Mass: 154.1416832
• Monoisotopic Mass: 154.05424107
• SMILES: c1(c(cc(cc1)N)F)C(=O)N
• Canonical SMILES: Nc1ccc(c(c1)F)C(=O)N
• InChI: InChI=1S/C7H7FN2O/c8-6-3-4(9)1-2-5(6)7(10)11/h1-3H,9H2,(H2,10,11)
• InChIKey: WIKPEQHEEAWUBH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-amino-2-fluorobenzamide
• IUPAC Traditional name: 4-amino-2-fluorobenzamide
• Synonyms: 4-amino-2-fluorobenzamide

Database IDs

• MDL Number: MFCD12913683
• PubChem SID: 164324339
• PubChem CID: 23068005

CALCULATED PROPERTIES

• Acid pKa: 13.55824
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.13725835
• LogD (pH = 7.4): 0.13765728
• Log P: 0.1376621
• Molar Refractivity: 40.0532 cm^3
• Polarizability: 14.048669 Å^3
• Polar Surface Area: 69.11 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 148 - 150°C
• Hydrophobicity(logP): -0.371

Product Information

• Purity: 95%