ChemSpider 2D Image | 5-Ethyl-N-({1-[2-(2-fluorophenyl)ethyl]-4-piperidinyl}methyl)-N-methyl-1H-pyrrole-2-carboxamide | C22H30FN3O

5-Ethyl-N-({1-[2-(2-fluorophenyl)ethyl]-4-piperidinyl}methyl)-N-methyl-1H-pyrrole-2-carboxamide

  • Molecular FormulaC22H30FN3O
  • Average mass371.491 Da
  • Monoisotopic mass371.237305 Da
  • ChemSpider ID30954038

More details:

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

1H-Pyrrole-2-carboxamide, 5-ethyl-N-[[1-[2-(2-fluorophenyl)ethyl]-4-piperidinyl]methyl]-N-methyl- [ACD/Index Name]
5-Ethyl-N-({1-[2-(2-fluorophenyl)ethyl]-4-piperidinyl}methyl)-N-methyl-1H-pyrrole-2-carboxamide [ACD/IUPAC Name]
5-Éthyl-N-({1-[2-(2-fluorophényl)éthyl]-4-pipéridinyl}méthyl)-N-méthyl-1H-pyrrole-2-carboxamide [French] [ACD/IUPAC Name]
5-Ethyl-N-({1-[2-(2-fluorphenyl)ethyl]-4-piperidinyl}methyl)-N-methyl-1H-pyrrol-2-carboxamid [German] [ACD/IUPAC Name]
5-ethyl-N-({1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl}methyl)-N-methyl-1H-pyrrole-2-carboxamide

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

Density: 1.1±0.1 g/cm3
Boiling Point: 535.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.2±3.0 kJ/mol
Flash Point: 277.6±28.7 °C
Index of Refraction: 1.558
Molar Refractivity: 107.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.46
ACD/LogD (pH 5.5): 0.38
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.93
ACD/LogD (pH 7.4): 1.91
ACD/BCF (pH 7.4): 8.00
ACD/KOC (pH 7.4): 64.87
Polar Surface Area: 39 Å2
Polarizability: 42.4±0.5 10-24cm3
Surface Tension: 43.3±3.0 dyne/cm
Molar Volume: 331.9±3.0 cm3

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