ChemSpider 2D Image | 4-(2-Ethylbutyl)-N-[3-(4-fluorophenoxy)-5-(3-fluoropropoxy)phenyl]-4-hydroxy-1-piperidinecarboxamide | C27H36F2N2O4

4-(2-Ethylbutyl)-N-[3-(4-fluorophenoxy)-5-(3-fluoropropoxy)phenyl]-4-hydroxy-1-piperidinecarboxamide

  • Molecular FormulaC27H36F2N2O4
  • Average mass490.582 Da
  • Monoisotopic mass490.264313 Da
  • ChemSpider ID127424541

More details:

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

1-Piperidinecarboxamide, 4-(2-ethylbutyl)-N-[3-(4-fluorophenoxy)-5-(3-fluoropropoxy)phenyl]-4-hydroxy- [ACD/Index Name]
4-(2-Ethylbutyl)-N-[3-(4-fluorophenoxy)-5-(3-fluoropropoxy)phenyl]-4-hydroxy-1-piperidinecarboxamide [ACD/IUPAC Name]
4-(2-Éthylbutyl)-N-[3-(4-fluorophénoxy)-5-(3-fluoropropoxy)phényl]-4-hydroxy-1-pipéridinecarboxamide [French] [ACD/IUPAC Name]
4-(2-Ethylbutyl)-N-[3-(4-fluorphenoxy)-5-(3-fluorpropoxy)phenyl]-4-hydroxy-1-piperidincarboxamid [German] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL4471632/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 628.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.8±3.0 kJ/mol
Flash Point: 334.0±31.5 °C
Index of Refraction: 1.554
Molar Refractivity: 132.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 6.33
ACD/LogD (pH 5.5): 5.60
ACD/BCF (pH 5.5): 10548.29
ACD/KOC (pH 5.5): 26386.54
ACD/LogD (pH 7.4): 5.60
ACD/BCF (pH 7.4): 10548.21
ACD/KOC (pH 7.4): 26386.34
Polar Surface Area: 71 Å2
Polarizability: 52.4±0.5 10-24cm3
Surface Tension: 45.8±3.0 dyne/cm
Molar Volume: 412.8±3.0 cm3

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