2-amino-N-(2,3,4-trifluorophenyl)acetamide hydrochloride

• ChemBase ID: 234225
• Molecular Formular: C8H8ClF3N2O
• Molecular Mass: 240.6101296
• Monoisotopic Mass: 240.02772523
• SMILES: c1(c(c(ccc1NC(=O)CN)F)F)F.Cl
• Canonical SMILES: NCC(=O)Nc1ccc(c(c1F)F)F.Cl
• InChI: InChI=1S/C8H7F3N2O.ClH/c9-4-1-2-5(8(11)7(4)10)13-6(14)3-12;/h1-2H,3,12H2,(H,13,14);1H
• InChIKey: URCPVDIDZOUHJX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N-(2,3,4-trifluorophenyl)acetamide hydrochloride
• IUPAC Traditional name: 2-amino-N-(2,3,4-trifluorophenyl)acetamide hydrochloride
• Synonyms: 2-amino-N-(2,3,4-trifluorophenyl)acetamide hydrochloride

Database IDs

• MDL Number: MFCD07287300
• PubChem SID: 164290135
• PubChem CID: 16243594

CALCULATED PROPERTIES

• Acid pKa: 11.453105
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.658031
• LogD (pH = 7.4): 0.036088143
• Log P: 0.71493214
• Molar Refractivity: 44.9299 cm^3
• Polarizability: 16.068335 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 247 - 249°C
• Hydrophobicity(logP): 0.318

Product Information

• Purity: 95%
• Salt Data: HCl