2-amino-3-fluorobenzamide

• ChemBase ID: 800407
• Molecular Formular: C7H7FN2O
• Molecular Mass: 154.1416832
• Monoisotopic Mass: 154.05424107
• SMILES: c1(c(c(ccc1)F)N)C(=O)N
• Canonical SMILES: NC(=O)c1cccc(c1N)F
• InChI: InChI=1S/C7H7FN2O/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3H,9H2,(H2,10,11)
• InChIKey: LBOUEEMTFKPGKI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-3-fluorobenzamide
• IUPAC Traditional name: 2-amino-3-fluorobenzamide
• Synonyms: 2-amino-3-fluorobenzamide

Database IDs

• CAS Number: 187805-54-5

CALCULATED PROPERTIES

• Acid pKa: 14.320829
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.7876458
• LogD (pH = 7.4): 0.7876619
• Log P: 0.7876621
• Molar Refractivity: 40.0532 cm^3
• Polarizability: 14.050275 Å^3
• Polar Surface Area: 69.11 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%