N-benzyl-2-(pyrrolidin-3-yl)-N-(2,2,2-trifluoroethyl)acetamide

• ChemBase ID: 755118
• Molecular Formular: C15H19F3N2O
• Molecular Mass: 300.3193696
• Monoisotopic Mass: 300.1449479
• SMILES: C(=O)(N(CC(F)(F)F)Cc1ccccc1)CC1CNCC1
• Canonical SMILES: O=C(N(CC(F)(F)F)Cc1ccccc1)CC1CNCC1
• InChI: InChI=1S/C15H19F3N2O/c16-15(17,18)11-20(10-12-4-2-1-3-5-12)14(21)8-13-6-7-19-9-13/h1-5,13,19H,6-11H2
• InChIKey: FVKIIWXBEDPOHV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-2-(pyrrolidin-3-yl)-N-(2,2,2-trifluoroethyl)acetamide
• IUPAC Traditional name: N-benzyl-2-(pyrrolidin-3-yl)-N-(2,2,2-trifluoroethyl)acetamide
• Synonyms: N-benzyl-2-pyrrolidin-3-yl-N-(2,2,2-trifluoroethyl)acetamide

CALCULATED PROPERTIES

JChem

• Rotatable Bonds: 6
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.2185088
• LogD (pH = 7.4): -1.1260915
• Log P: 2.0221975
• Molar Refractivity: 74.6507 cm^3
• Polarizability: 28.129808 Å^3
• Polar Surface Area: 32.34 Å^2

供应商提供(Chembridge)

• Rotatable Bonds: 6
• H Acceptors: 2
• H Donor: 1
• Log P: 2.57
• LOG S: -3.58
• Polar Surface Area: 32.34 Å^2