2-amino-4-fluorobenzamide

• ChemBase ID: 289251
• Molecular Formular: C7H7FN2O
• Molecular Mass: 154.1416832
• Monoisotopic Mass: 154.05424107
• SMILES: NC(=O)c1c(N)cc(F)cc1
• Canonical SMILES: Fc1ccc(c(c1)N)C(=O)N
• InChI: InChI=1S/C7H7FN2O/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,9H2,(H2,10,11)
• InChIKey: OAQNMGCVLKKYJF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 119023-25-5
• MDL Number: MFCD11505061
• PubChem SID: 180674782
• PubChem CID: 10241004

CALCULATED PROPERTIES

• Acid pKa: 14.70344
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.787604
• LogD (pH = 7.4): 0.7876614
• Log P: 0.7876621
• Molar Refractivity: 40.0532 cm^3
• Polarizability: 14.048566 Å^3
• Polar Surface Area: 69.11 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%