ChemSpider 2D Image | Ethyl [1-({[2-(4-fluorophenyl)-1-pyrrolidinyl]carbonyl}amino)cyclohexyl]acetate | C21H29FN2O3

Ethyl [1-({[2-(4-fluorophenyl)-1-pyrrolidinyl]carbonyl}amino)cyclohexyl]acetate

  • Molecular FormulaC21H29FN2O3
  • Average mass376.465 Da
  • Monoisotopic mass376.216217 Da
  • ChemSpider ID24753008

More details:

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

[1-({[2-(4-Fluorophényl)-1-pyrrolidinyl]carbonyl}amino)cyclohexyl]acétate d'éthyle [French] [ACD/IUPAC Name]
Cyclohexaneacetic acid, 1-[[[2-(4-fluorophenyl)-1-pyrrolidinyl]carbonyl]amino]-, ethyl ester [ACD/Index Name]
Ethyl [1-({[2-(4-fluorophenyl)-1-pyrrolidinyl]carbonyl}amino)cyclohexyl]acetate [ACD/IUPAC Name]
Ethyl-[1-({[2-(4-fluorphenyl)-1-pyrrolidinyl]carbonyl}amino)cyclohexyl]acetat [German] [ACD/IUPAC Name]
(1-{[2-(4-Fluoro-phenyl)-pyrrolidine-1-carbonyl]-amino}-cyclohexyl)-acetic acid ethyl ester
ethyl 2-({[2-(4-fluorophenyl)pyrrolidinyl]carbonylamino}cyclohexyl)acetate
ETHYL 2-(1-{[2-(4-FLUOROPHENYL)PYRROLIDINE-1-CARBONYL]AMINO}CYCLOHEXYL)ACETATE
ETHYL 2-{1-[2-(4-FLUOROPHENYL)PYRROLIDINE-1-CARBONYLAMINO]CYCLOHEXYL}ACETATE

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

Density: 1.2±0.1 g/cm3
Boiling Point: 514.0±43.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.6±3.0 kJ/mol
Flash Point: 264.6±28.2 °C
Index of Refraction: 1.554
Molar Refractivity: 101.7±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.35
ACD/LogD (pH 5.5): 4.47
ACD/BCF (pH 5.5): 1482.64
ACD/KOC (pH 5.5): 6477.78
ACD/LogD (pH 7.4): 4.47
ACD/BCF (pH 7.4): 1482.63
ACD/KOC (pH 7.4): 6477.73
Polar Surface Area: 59 Å2
Polarizability: 40.3±0.5 10-24cm3
Surface Tension: 47.4±5.0 dyne/cm
Molar Volume: 317.4±5.0 cm3

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