N-ethyl-N-[2-(2-fluorophenoxy)ethyl]-2-(pyrrolidin-1-yl)acetamide

• ChemBase ID: 864318
• Molecular Formular: C16H23FN2O2
• Molecular Mass: 294.3644232
• Monoisotopic Mass: 294.17435621
• SMILES: C(=O)(CN1CCCC1)N(CCOc1c(F)cccc1)CC
• Canonical SMILES: CCN(C(=O)CN1CCCC1)CCOc1ccccc1F
• InChI: InChI=1S/C16H23FN2O2/c1-2-19(16(20)13-18-9-5-6-10-18)11-12-21-15-8-4-3-7-14(15)17/h3-4,7-8H,2,5-6,9-13H2,1H3
• InChIKey: NSWHMQNXYJOIKA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-N-[2-(2-fluorophenoxy)ethyl]-2-(pyrrolidin-1-yl)acetamide
• IUPAC Traditional name: N-ethyl-N-[2-(2-fluorophenoxy)ethyl]-2-(pyrrolidin-1-yl)acetamide
• Synonyms: N-ethyl-N-[2-(2-fluorophenoxy)ethyl]-2-pyrrolidin-1-ylacetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.54623944
• LogD (pH = 7.4): 1.2094059
• Log P: 1.8579192
• Molar Refractivity: 80.7465 cm^3
• Polarizability: 31.09418 Å^3
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.49
• LOG S: -4.33
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 7