3-amino-5-fluorobenzamide

• ChemBase ID: 287765
• Molecular Formular: C7H7FN2O
• Molecular Mass: 154.1416832
• Monoisotopic Mass: 154.05424107
• SMILES: O=C(N)c1cc(F)cc(N)c1
• Canonical SMILES: Nc1cc(F)cc(c1)C(=O)N
• InChI: InChI=1S/C7H7FN2O/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3H,9H2,(H2,10,11)
• InChIKey: XEBNJYARAWCSGJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-amino-5-fluorobenzamide
• IUPAC Traditional name: 3-amino-5-fluorobenzamide
• Synonyms: 3-Amino-5-fluorobenzamide

Database IDs

• CAS Number: 1036757-40-0
• MDL Number: MFCD08447276
• PubChem SID: 180673296
• PubChem CID: 46835333

CALCULATED PROPERTIES

• Acid pKa: 14.020677
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.13750377
• LogD (pH = 7.4): 0.13766019
• Log P: 0.1376621
• Molar Refractivity: 40.0532 cm^3
• Polarizability: 14.048182 Å^3
• Polar Surface Area: 69.11 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%