N-benzyl-2-(morpholin-2-yl)-N-(2,2,2-trifluoroethyl)acetamide

• ChemBase ID: 449998
• Molecular Formular: C15H19F3N2O2
• Molecular Mass: 316.3187696
• Monoisotopic Mass: 316.13986252
• SMILES: C(=O)(N(CC(F)(F)F)Cc1ccccc1)CC1OCCNC1
• Canonical SMILES: O=C(N(CC(F)(F)F)Cc1ccccc1)CC1CNCCO1
• InChI: InChI=1S/C15H19F3N2O2/c16-15(17,18)11-20(10-12-4-2-1-3-5-12)14(21)8-13-9-19-6-7-22-13/h1-5,13,19H,6-11H2
• InChIKey: BATWWBBJLBCTQV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-2-(morpholin-2-yl)-N-(2,2,2-trifluoroethyl)acetamide
• IUPAC Traditional name: N-benzyl-2-(morpholin-2-yl)-N-(2,2,2-trifluoroethyl)acetamide
• Synonyms: N-benzyl-2-morpholin-2-yl-N-(2,2,2-trifluoroethyl)acetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.0833335
• LogD (pH = 7.4): 0.60549605
• Log P: 1.6833631
• Molar Refractivity: 75.9004 cm^3
• Polarizability: 28.886557 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.43
• LOG S: -2.73
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 6