ChemSpider 2D Image | N-[4-CHLORO-3-(PYRIDIN-3-YLOXYMETHYL)-PHENYL]-3-FLUORO- | C23H25ClFN3O3

N-[4-CHLORO-3-(PYRIDIN-3-YLOXYMETHYL)-PHENYL]-3-FLUORO-

  • Molecular FormulaC23H25ClFN3O3
  • Average mass445.914 Da
  • Monoisotopic mass445.156860 Da
  • ChemSpider ID25060923

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R,5S)-N-{4-Chlor-3-[(3-pyridinyloxy)methyl]phenyl}-3-fluor-5-(4-morpholinyl)-1-cyclohexen-1-carboxamid [German] [ACD/IUPAC Name]
(3R,5S)-N-{4-Chloro-3-[(3-pyridinyloxy)methyl]phenyl}-3-fluoro-5-(4-morpholinyl)-1-cyclohexene-1-carboxamide [ACD/IUPAC Name]
(3R,5S)-N-{4-Chloro-3-[(3-pyridinyloxy)méthyl]phényl}-3-fluoro-5-(4-morpholinyl)-1-cyclohexène-1-carboxamide [French] [ACD/IUPAC Name]
1-Cyclohexene-1-carboxamide, N-[4-chloro-3-[(3-pyridinyloxy)methyl]phenyl]-3-fluoro-5-(4-morpholinyl)-, (3R,5S)- [ACD/Index Name]
N-[4-CHLORO-3-(PYRIDIN-3-YLOXYMETHYL)-PHENYL]-3-FLUORO-
(3R,5S)-N-{4-chloro-3-[(pyridin-3-yloxy)methyl]phenyl}-3-fluoro-5-(morpholin-4-yl)cyclohex-1-ene-1-carboxamide

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

Density: 1.3±0.1 g/cm3
Boiling Point: 636.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.1±3.0 kJ/mol
Flash Point: 339.0±31.5 °C
Index of Refraction: 1.615
Molar Refractivity: 116.5±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.11
ACD/LogD (pH 5.5): 1.97
ACD/BCF (pH 5.5): 10.91
ACD/KOC (pH 5.5): 103.13
ACD/LogD (pH 7.4): 2.88
ACD/BCF (pH 7.4): 89.80
ACD/KOC (pH 7.4): 848.95
Polar Surface Area: 64 Å2
Polarizability: 46.2±0.5 10-24cm3
Surface Tension: 57.5±5.0 dyne/cm
Molar Volume: 333.9±5.0 cm3

Click to predict properties on the Chemicalize site


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