N-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)-2-(pyrrolidin-3-yl)acetamide

• ChemBase ID: 542278
• Molecular Formular: C16H23FN2O2
• Molecular Mass: 294.3644232
• Monoisotopic Mass: 294.17435621
• SMILES: C(=O)(N(Cc1c(F)cccc1)CCOC)CC1CNCC1
• Canonical SMILES: COCCN(C(=O)CC1CNCC1)Cc1ccccc1F
• InChI: InChI=1S/C16H23FN2O2/c1-21-9-8-19(12-14-4-2-3-5-15(14)17)16(20)10-13-6-7-18-11-13/h2-5,13,18H,6-12H2,1H3
• InChIKey: VUKYTUXPYANFNH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)-2-(pyrrolidin-3-yl)acetamide
• IUPAC Traditional name: N-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)-2-(pyrrolidin-3-yl)acetamide
• Synonyms: N-(2-fluorobenzyl)-N-(2-methoxyethyl)-2-pyrrolidin-3-ylacetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.0778787
• LogD (pH = 7.4): -1.9854614
• Log P: 1.1628277
• Molar Refractivity: 80.4605 cm^3
• Polarizability: 31.105505 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.44
• LOG S: -2.58
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 7