ChemSpider 2D Image | N-Ethyl-N-({1-[2-(3-fluorophenyl)ethyl]-3-piperidinyl}methyl)-2-methyl-1H-pyrrole-3-carboxamide | C22H30FN3O

N-Ethyl-N-({1-[2-(3-fluorophenyl)ethyl]-3-piperidinyl}methyl)-2-methyl-1H-pyrrole-3-carboxamide

  • Molecular FormulaC22H30FN3O
  • Average mass371.491 Da
  • Monoisotopic mass371.237305 Da
  • ChemSpider ID30929292

More details:

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

1H-Pyrrole-3-carboxamide, N-ethyl-N-[[1-[2-(3-fluorophenyl)ethyl]-3-piperidinyl]methyl]-2-methyl- [ACD/Index Name]
N-Ethyl-N-({1-[2-(3-fluorophenyl)ethyl]-3-piperidinyl}methyl)-2-methyl-1H-pyrrole-3-carboxamide [ACD/IUPAC Name]
N-Éthyl-N-({1-[2-(3-fluorophényl)éthyl]-3-pipéridinyl}méthyl)-2-méthyl-1H-pyrrole-3-carboxamide [French] [ACD/IUPAC Name]
N-Ethyl-N-({1-[2-(3-fluorphenyl)ethyl]-3-piperidinyl}methyl)-2-methyl-1H-pyrrol-3-carboxamid [German] [ACD/IUPAC Name]
N-ethyl-N-({1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl}methyl)-2-methyl-1H-pyrrole-3-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: 536.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.3±3.0 kJ/mol
Flash Point: 277.9±28.7 °C
Index of Refraction: 1.558
Molar Refractivity: 107.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.79
ACD/LogD (pH 5.5): 0.49
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.19
ACD/LogD (pH 7.4): 2.01
ACD/BCF (pH 7.4): 9.44
ACD/KOC (pH 7.4): 72.05
Polar Surface Area: 39 Å2
Polarizability: 42.4±0.5 10-24cm3
Surface Tension: 43.4±3.0 dyne/cm
Molar Volume: 331.9±3.0 cm3

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