ChemSpider 2D Image | 1-[2-(2-Chlorophenyl)ethyl]-5-{2-[(4-fluorobenzyl)amino]ethyl}-2-pyrrolidinone | C21H24ClFN2O

1-[2-(2-Chlorophenyl)ethyl]-5-{2-[(4-fluorobenzyl)amino]ethyl}-2-pyrrolidinone

  • Molecular FormulaC21H24ClFN2O
  • Average mass374.879 Da
  • Monoisotopic mass374.156128 Da
  • ChemSpider ID23054065

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1-[2-(2-Chlorophenyl)ethyl]-5-{2-[(4-fluorobenzyl)amino]ethyl}-2-pyrrolidinone [ACD/IUPAC Name]
1-[2-(2-Chlorophényl)éthyl]-5-{2-[(4-fluorobenzyl)amino]éthyl}-2-pyrrolidinone [French] [ACD/IUPAC Name]
1-[2-(2-Chlorphenyl)ethyl]-5-{2-[(4-fluorbenzyl)amino]ethyl}-2-pyrrolidinon [German] [ACD/IUPAC Name]
2-Pyrrolidinone, 1-[2-(2-chlorophenyl)ethyl]-5-[2-[[(4-fluorophenyl)methyl]amino]ethyl]- [ACD/Index Name]
1-[2-(2-CHLOROPHENYL)ETHYL]-5-(2-{[(4-FLUOROPHENYL)METHYL]AMINO}ETHYL)PYRROLIDIN-2-ONE

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 528.1±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.3±3.0 kJ/mol
Flash Point: 273.2±27.3 °C
Index of Refraction: 1.568
Molar Refractivity: 102.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.99
ACD/LogD (pH 5.5): 1.08
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.92
ACD/LogD (pH 7.4): 2.27
ACD/BCF (pH 7.4): 11.42
ACD/KOC (pH 7.4): 60.34
Polar Surface Area: 32 Å2
Polarizability: 40.8±0.5 10-24cm3
Surface Tension: 44.3±3.0 dyne/cm
Molar Volume: 314.3±3.0 cm3

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