2-(ethylamino)-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]acetamide hydrochloride

• ChemBase ID: 233700
• Molecular Formular: C14H20ClF3N2O3
• Molecular Mass: 356.7684096
• Monoisotopic Mass: 356.11145485
• SMILES: C(c1cc(NC(=O)CNCC)c(cc1)OCCOC)(F)(F)F.Cl
• Canonical SMILES: COCCOc1ccc(cc1NC(=O)CNCC)C(F)(F)F.Cl
• InChI: InChI=1S/C14H19F3N2O3.ClH/c1-3-18-9-13(20)19-11-8-10(14(15,16)17)4-5-12(11)22-7-6-21-2;/h4-5,8,18H,3,6-7,9H2,1-2H3,(H,19,20);1H
• InChIKey: NBURNTDTZDCJIN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(ethylamino)-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]acetamide hydrochloride
• IUPAC Traditional name: 2-(ethylamino)-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]acetamide hydrochloride
• Synonyms: 2-(ethylamino)-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]acetamide hydrochloride

Database IDs

• MDL Number: MFCD08445322
• PubChem SID: 164289610
• PubChem CID: 43810410

CALCULATED PROPERTIES

• Acid pKa: 11.875875
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.0571074
• LogD (pH = 7.4): 0.61517715
• Log P: 1.7494164
• Molar Refractivity: 77.2843 cm^3
• Polarizability: 28.498087 Å^3
• Polar Surface Area: 59.59 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.661

Product Information

• Purity: 95%
• Salt Data: HCl