2-amino-N-(4-fluorophenyl)acetamide hydrochloride

• ChemBase ID: 50007
• Molecular Formular: C8H10ClFN2O
• Molecular Mass: 204.6292032
• Monoisotopic Mass: 204.04656885
• SMILES: C(=O)(Nc1ccc(F)cc1)CN.Cl
• Canonical SMILES: NCC(=O)Nc1ccc(cc1)F.Cl
• InChI: InChI=1S/C8H9FN2O.ClH/c9-6-1-3-7(4-2-6)11-8(12)5-10;/h1-4H,5,10H2,(H,11,12);1H
• InChIKey: LAAGAEKSBHQDRY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N-(4-fluorophenyl)acetamide hydrochloride
• IUPAC Traditional name: 2-amino-N-(4-fluorophenyl)acetamide hydrochloride
• Synonyms: 2-Amino-N-(4-fluorophenyl)acetamide hydrochloride

Database IDs

• MDL Number: MFCD13562823
• PubChem SID: 162054770
• PubChem CID: 22257867

CALCULATED PROPERTIES

• Acid pKa: 13.734228
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.9435306
• LogD (pH = 7.4): -0.24912143
• Log P: 0.42952827
• Molar Refractivity: 44.4971 cm^3
• Polarizability: 16.425535 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false