3-amino-4-fluorobenzamide hydrochloride

• ChemBase ID: 121332
• Molecular Formular: C7H8ClFN2O
• Molecular Mass: 190.6026232
• Monoisotopic Mass: 190.03091879
• SMILES: C(=O)(c1cc(c(cc1)F)N)N.Cl
• Canonical SMILES: NC(=O)c1ccc(c(c1)N)F.Cl
• InChI: InChI=1S/C7H7FN2O.ClH/c8-5-2-1-4(7(10)11)3-6(5)9;/h1-3H,9H2,(H2,10,11);1H
• InChIKey: ZFLXUHZMMMLEEO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-amino-4-fluorobenzamide hydrochloride
• IUPAC Traditional name: 3-amino-4-fluorobenzamide hydrochloride
• Synonyms: 3-amino-4-fluorobenzamide hydrochloride

Database IDs

• PubChem SID: 162215685
• PubChem CID: 71308110

CALCULATED PROPERTIES

• Acid pKa: 14.455378
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.13763416
• LogD (pH = 7.4): 0.13766177
• Log P: 0.1376621
• Molar Refractivity: 40.0532 cm^3
• Polarizability: 14.04862 Å^3
• Polar Surface Area: 69.11 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Salt Data: HCl