ChemSpider 2D Image | 6-Chloro-N-{4-[(4E)-4-[cyclopropyl(hydroxy)methylene]-1-(4-fluorobenzyl)-3,5-dioxo-2-pyrrolidinyl]butyl}nicotinamide | C25H25ClFN3O4

6-Chloro-N-{4-[(4E)-4-[cyclopropyl(hydroxy)methylene]-1-(4-fluorobenzyl)-3,5-dioxo-2-pyrrolidinyl]butyl}nicotinamide

  • Molecular FormulaC25H25ClFN3O4
  • Average mass485.935 Da
  • Monoisotopic mass485.151764 Da
  • ChemSpider ID24702289

  • Double-bond stereo - Double-bond stereo

More details:

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

3-Pyridinecarboxamide, 6-chloro-N-[4-[(4E)-4-(cyclopropylhydroxymethylene)-1-[(4-fluorophenyl)methyl]-3,5-dioxo-2-pyrrolidinyl]butyl]- [ACD/Index Name]
6-Chlor-N-{4-[(4E)-4-[cyclopropyl(hydroxy)methylen]-1-(4-fluorbenzyl)-3,5-dioxo-2-pyrrolidinyl]butyl}nicotinamid [German] [ACD/IUPAC Name]
6-Chloro-N-{4-[(4E)-4-[cyclopropyl(hydroxy)methylene]-1-(4-fluorobenzyl)-3,5-dioxo-2-pyrrolidinyl]butyl}nicotinamide [ACD/IUPAC Name]
6-Chloro-N-{4-[(4E)-4-[cyclopropyl(hydroxy)méthylène]-1-(4-fluorobenzyl)-3,5-dioxo-2-pyrrolidinyl]butyl}nicotinamide [French] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL485703/

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

Density: 1.4±0.1 g/cm3
Boiling Point: 739.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.2±3.0 kJ/mol
Flash Point: 401.0±32.9 °C
Index of Refraction: 1.630
Molar Refractivity: 123.8±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 2.72
ACD/LogD (pH 5.5): 1.35
ACD/BCF (pH 5.5): 3.49
ACD/KOC (pH 5.5): 43.02
ACD/LogD (pH 7.4): -0.42
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 100 Å2
Polarizability: 49.1±0.5 10-24cm3
Surface Tension: 63.6±3.0 dyne/cm
Molar Volume: 348.0±3.0 cm3

Click to predict properties on the Chemicalize site


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