2-[(2-methoxyethyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide hydrochloride

• ChemBase ID: 234220
• Molecular Formular: C12H16ClF3N2O2
• Molecular Mass: 312.7158496
• Monoisotopic Mass: 312.0852401
• SMILES: C(c1c(NC(=O)CNCCOC)cccc1)(F)(F)F.Cl
• Canonical SMILES: COCCNCC(=O)Nc1ccccc1C(F)(F)F.Cl
• InChI: InChI=1S/C12H15F3N2O2.ClH/c1-19-7-6-16-8-11(18)17-10-5-3-2-4-9(10)12(13,14)15;/h2-5,16H,6-8H2,1H3,(H,17,18);1H
• InChIKey: ZSKPYVICBBWAPK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(2-methoxyethyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide hydrochloride
• IUPAC Traditional name: 2-[(2-methoxyethyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide hydrochloride
• Synonyms: 2-[(2-methoxyethyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide hydrochloride

Database IDs

• MDL Number: MFCD08447147
• PubChem SID: 164290130
• PubChem CID: 43405246

CALCULATED PROPERTIES

• Acid pKa: 12.314865
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.75167924
• LogD (pH = 7.4): 0.96701044
• Log P: 1.5502797
• Molar Refractivity: 66.0725 cm^3
• Polarizability: 24.127007 Å^3
• Polar Surface Area: 50.36 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.625

Product Information

• Purity: 95%
• Salt Data: HCl