ChemSpider 2D Image | Methyl 5-{[2-(2-chloro-6-fluorophenyl)-2-(1-pyrrolidinyl)ethyl]carbamoyl}-2,4-dimethyl-1H-pyrrole-3-carboxylate | C21H25ClFN3O3

Methyl 5-{[2-(2-chloro-6-fluorophenyl)-2-(1-pyrrolidinyl)ethyl]carbamoyl}-2,4-dimethyl-1H-pyrrole-3-carboxylate

  • Molecular FormulaC21H25ClFN3O3
  • Average mass421.893 Da
  • Monoisotopic mass421.156860 Da
  • ChemSpider ID33369064

More details:

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

1H-Pyrrole-3-carboxylic acid, 5-[[[2-(2-chloro-6-fluorophenyl)-2-(1-pyrrolidinyl)ethyl]amino]carbonyl]-2,4-dimethyl-, methyl ester [ACD/Index Name]
5-{[2-(2-Chloro-6-fluorophényl)-2-(1-pyrrolidinyl)éthyl]carbamoyl}-2,4-diméthyl-1H-pyrrole-3-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 5-{[2-(2-chloro-6-fluorophenyl)-2-(1-pyrrolidinyl)ethyl]carbamoyl}-2,4-dimethyl-1H-pyrrole-3-carboxylate [ACD/IUPAC Name]
Methyl-5-{[2-(2-chlor-6-fluorphenyl)-2-(1-pyrrolidinyl)ethyl]carbamoyl}-2,4-dimethyl-1H-pyrrol-3-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 542.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.0±3.0 kJ/mol
Flash Point: 281.8±30.1 °C
Index of Refraction: 1.591
Molar Refractivity: 109.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.74
ACD/LogD (pH 5.5): 2.26
ACD/BCF (pH 5.5): 10.70
ACD/KOC (pH 5.5): 54.18
ACD/LogD (pH 7.4): 3.86
ACD/BCF (pH 7.4): 421.24
ACD/KOC (pH 7.4): 2132.52
Polar Surface Area: 74 Å2
Polarizability: 43.5±0.5 10-24cm3
Surface Tension: 51.9±3.0 dyne/cm
Molar Volume: 325.0±3.0 cm3

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