ChemSpider 2D Image | 5-{2-[(3-Fluorobenzyl)amino]ethyl}-1-(3-phenylpropyl)-2-pyrrolidinone | C22H27FN2O

5-{2-[(3-Fluorobenzyl)amino]ethyl}-1-(3-phenylpropyl)-2-pyrrolidinone

  • Molecular FormulaC22H27FN2O
  • Average mass354.461 Da
  • Monoisotopic mass354.210754 Da
  • ChemSpider ID22228302

More details:

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

2-Pyrrolidinone, 5-[2-[[(3-fluorophenyl)methyl]amino]ethyl]-1-(3-phenylpropyl)- [ACD/Index Name]
5-{2-[(3-Fluorbenzyl)amino]ethyl}-1-(3-phenylpropyl)-2-pyrrolidinon [German] [ACD/IUPAC Name]
5-{2-[(3-Fluorobenzyl)amino]ethyl}-1-(3-phenylpropyl)-2-pyrrolidinone [ACD/IUPAC Name]
5-{2-[(3-Fluorobenzyl)amino]éthyl}-1-(3-phénylpropyl)-2-pyrrolidinone [French] [ACD/IUPAC Name]
5-(2-{[(3-FLUOROPHENYL)METHYL]AMINO}ETHYL)-1-(3-PHENYLPROPYL)PYRROLIDIN-2-ONE

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

Density: 1.1±0.1 g/cm3
Boiling Point: 515.4±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.7±3.0 kJ/mol
Flash Point: 265.5±25.9 °C
Index of Refraction: 1.557
Molar Refractivity: 102.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.83
ACD/LogD (pH 5.5): 0.98
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.74
ACD/LogD (pH 7.4): 2.39
ACD/BCF (pH 7.4): 16.74
ACD/KOC (pH 7.4): 97.19
Polar Surface Area: 32 Å2
Polarizability: 40.7±0.5 10-24cm3
Surface Tension: 42.4±3.0 dyne/cm
Molar Volume: 318.9±3.0 cm3

Click to predict properties on the Chemicalize site


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