2-(ethylamino)-N-[2-(trifluoromethyl)phenyl]acetamide hydrochloride

• ChemBase ID: 232848
• Molecular Formular: C11H14ClF3N2O
• Molecular Mass: 282.6898696
• Monoisotopic Mass: 282.07467542
• SMILES: C(c1c(NC(=O)CNCC)cccc1)(F)(F)F.Cl
• Canonical SMILES: CCNCC(=O)Nc1ccccc1C(F)(F)F.Cl
• InChI: InChI=1S/C11H13F3N2O.ClH/c1-2-15-7-10(17)16-9-6-4-3-5-8(9)11(12,13)14;/h3-6,15H,2,7H2,1H3,(H,16,17);1H
• InChIKey: XQZIXSGHSMBDCY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD07700892
• PubChem SID: 164288758
• PubChem CID: 20847920

CALCULATED PROPERTIES

• Acid pKa: 12.315853
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.8564407
• LogD (pH = 7.4): 0.81410193
• Log P: 1.9540632
• Molar Refractivity: 59.7776 cm^3
• Polarizability: 21.548874 Å^3
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.004

Product Information

• Purity: 95%
• Salt Data: HCl