2-amino-5-fluorobenzamide

• ChemBase ID: 94575
• Molecular Formular: C7H7FN2O
• Molecular Mass: 154.1416832
• Monoisotopic Mass: 154.05424107
• SMILES: NC(=O)c1cc(ccc1N)F
• Canonical SMILES: Fc1ccc(c(c1)C(=O)N)N
• InChI: InChI=1S/C7H7FN2O/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,9H2,(H2,10,11)
• InChIKey: RHJMYIPLYKQZJM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-5-fluorobenzamide
• IUPAC Traditional name: 2-amino-5-fluorobenzamide
• Synonyms: 2-amino-5-fluorobenzamide; 2-Amino-5-fluorobenzamide 97%

Database IDs

• CAS Number: 63069-49-8
• MDL Number: MFCD03428522
• PubChem SID: 162081229
• PubChem CID: 10241003

CALCULATED PROPERTIES

• Acid pKa: 14.216377
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.7873969
• LogD (pH = 7.4): 0.7876588
• Log P: 0.7876621
• Molar Refractivity: 40.0532 cm^3
• Polarizability: 14.049102 Å^3
• Polar Surface Area: 69.11 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 143 - 145°C; 146-148°C
• Hydrophobicity(logP): 0.639

Safety Information

• Storage Warning: Harmful/Irritant

Product Information

• Purity: 95%; 97%