ChemSpider 2D Image | 4-(Adamantan-2-ylamino)-N-(4-chloro-2-fluorophenyl)-1-piperidinecarboxamide | C22H29ClFN3O

4-(Adamantan-2-ylamino)-N-(4-chloro-2-fluorophenyl)-1-piperidinecarboxamide

  • Molecular FormulaC22H29ClFN3O
  • Average mass405.937 Da
  • Monoisotopic mass405.198303 Da
  • ChemSpider ID24695241

More details:

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

1-Piperidinecarboxamide, N-(4-chloro-2-fluorophenyl)-4-(tricyclo[3.3.1.13,7]dec-2-ylamino)- [ACD/Index Name]
4-(Adamantan-2-ylamino)-N-(4-chlor-2-fluorphenyl)-1-piperidincarboxamid [German] [ACD/IUPAC Name]
4-(Adamantan-2-ylamino)-N-(4-chloro-2-fluorophenyl)-1-piperidinecarboxamide [ACD/IUPAC Name]
4-(Adamantan-2-ylamino)-N-(4-chloro-2-fluorophényl)-1-pipéridinecarboxamide [French] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL469329/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 566.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.1±3.0 kJ/mol
Flash Point: 296.6±30.1 °C
Index of Refraction: 1.609
Molar Refractivity: 108.8±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.07
ACD/LogD (pH 5.5): 1.48
ACD/BCF (pH 5.5): 1.45
ACD/KOC (pH 5.5): 6.18
ACD/LogD (pH 7.4): 2.47
ACD/BCF (pH 7.4): 14.44
ACD/KOC (pH 7.4): 61.62
Polar Surface Area: 44 Å2
Polarizability: 43.1±0.5 10-24cm3
Surface Tension: 52.9±5.0 dyne/cm
Molar Volume: 314.0±5.0 cm3

Click to predict properties on the Chemicalize site


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