2-amino-2-(2-fluorophenyl)acetamide hydrochloride

• ChemBase ID: 276763
• Molecular Formular: C8H10ClFN2O
• Molecular Mass: 204.6292032
• Monoisotopic Mass: 204.04656885
• SMILES: c1(C(C(=O)N)N)c(F)cccc1.Cl
• Canonical SMILES: NC(=O)C(c1ccccc1F)N.Cl
• InChI: InChI=1S/C8H9FN2O.ClH/c9-6-4-2-1-3-5(6)7(10)8(11)12;/h1-4,7H,10H2,(H2,11,12);1H
• InChIKey: LORGBSQLLRZWIP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-2-(2-fluorophenyl)acetamide hydrochloride
• IUPAC Traditional name: 2-amino-2-(2-fluorophenyl)acetamide hydrochloride
• Synonyms: 2-amino-2-(2-fluorophenyl)acetamide hydrochloride

Database IDs

• MDL Number: MFCD19382294
• PubChem SID: 164332673
• PubChem CID: 54594342

CALCULATED PROPERTIES

• Acid pKa: 14.433578
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.6690629
• LogD (pH = 7.4): -0.1344446
• Log P: 0.12471317
• Molar Refractivity: 42.3999 cm^3
• Polarizability: 16.432291 Å^3
• Polar Surface Area: 69.11 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.251

Product Information

• Purity: 95%