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

1-(5-Fluoro-2-methylbenzyl)-5-{2-[(3-methylbenzyl)amino]ethyl}-2-pyrrolidinone

  • Molecular FormulaC22H27FN2O
  • Average mass354.461 Da
  • Monoisotopic mass354.210754 Da
  • ChemSpider ID22118985

More details:

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

1-(5-Fluor-2-methylbenzyl)-5-{2-[(3-methylbenzyl)amino]ethyl}-2-pyrrolidinon [German] [ACD/IUPAC Name]
1-(5-Fluoro-2-methylbenzyl)-5-{2-[(3-methylbenzyl)amino]ethyl}-2-pyrrolidinone [ACD/IUPAC Name]
1-(5-Fluoro-2-méthylbenzyl)-5-{2-[(3-méthylbenzyl)amino]éthyl}-2-pyrrolidinone [French] [ACD/IUPAC Name]
2-Pyrrolidinone, 1-[(5-fluoro-2-methylphenyl)methyl]-5-[2-[[(3-methylphenyl)methyl]amino]ethyl]- [ACD/Index Name]
1-[(5-FLUORO-2-METHYLPHENYL)METHYL]-5-(2-{[(3-METHYLPHENYL)METHYL]AMINO}ETHYL)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: 518.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.1±3.0 kJ/mol
Flash Point: 267.3±30.1 °C
Index of Refraction: 1.568
Molar Refractivity: 103.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.78
ACD/LogD (pH 5.5): 0.82
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.73
ACD/LogD (pH 7.4): 1.83
ACD/BCF (pH 7.4): 4.74
ACD/KOC (pH 7.4): 27.97
Polar Surface Area: 32 Å2
Polarizability: 40.8±0.5 10-24cm3
Surface Tension: 43.8±3.0 dyne/cm
Molar Volume: 314.9±3.0 cm3

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