5-amino-2-fluoro-N-methylbenzamide hydrochloride

• ChemBase ID: 120856
• Molecular Formular: C8H10ClFN2O
• Molecular Mass: 204.6292032
• Monoisotopic Mass: 204.04656885
• SMILES: c1(C(=O)NC)c(ccc(c1)N)F.Cl
• Canonical SMILES: CNC(=O)c1cc(N)ccc1F.Cl
• InChI: InChI=1S/C8H9FN2O.ClH/c1-11-8(12)6-4-5(10)2-3-7(6)9;/h2-4H,10H2,1H3,(H,11,12);1H
• InChIKey: SQEVKPIDBHRSSO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-amino-2-fluoro-N-methylbenzamide hydrochloride
• IUPAC Traditional name: 5-amino-2-fluoro-N-methylbenzamide hydrochloride
• Synonyms: 5-amino-2-fluoro-N-methylbenzamide hydrochloride

Database IDs

• PubChem SID: 162215209
• PubChem CID: 50851066

CALCULATED PROPERTIES

• Acid pKa: 13.270277
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.36034003
• LogD (pH = 7.4): 0.36132506
• Log P: 0.36133817
• Molar Refractivity: 44.9499 cm^3
• Polarizability: 15.868827 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Salt Data: HCl