ChemSpider 2D Image | 3-[5-Chloro-2-(4-morpholinyl)phenyl]-1-ethyl-1-(3-fluoro-4-methoxybenzyl)urea | C21H25ClFN3O3

3-[5-Chloro-2-(4-morpholinyl)phenyl]-1-ethyl-1-(3-fluoro-4-methoxybenzyl)urea

  • Molecular FormulaC21H25ClFN3O3
  • Average mass421.893 Da
  • Monoisotopic mass421.156860 Da
  • ChemSpider ID30512357

More details:






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

3-[5-Chlor-2-(4-morpholinyl)phenyl]-1-ethyl-1-(3-fluor-4-methoxybenzyl)harnstoff [German] [ACD/IUPAC Name]
3-[5-Chloro-2-(4-morpholinyl)phenyl]-1-ethyl-1-(3-fluoro-4-methoxybenzyl)urea [ACD/IUPAC Name]
3-[5-Chloro-2-(4-morpholinyl)phényl]-1-éthyl-1-(3-fluoro-4-méthoxybenzyl)urée [French] [ACD/IUPAC Name]
Urea, N'-[5-chloro-2-(4-morpholinyl)phenyl]-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]- [ACD/Index Name]
1-[5-CHLORO-2-(MORPHOLIN-4-YL)PHENYL]-3-ETHYL-3-[(3-FLUORO-4-METHOXYPHENYL)METHYL]UREA

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 619.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.8±3.0 kJ/mol
Flash Point: 328.6±31.5 °C
Index of Refraction: 1.597
Molar Refractivity: 111.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.48
ACD/LogD (pH 5.5): 4.09
ACD/BCF (pH 5.5): 699.94
ACD/KOC (pH 5.5): 3494.93
ACD/LogD (pH 7.4): 4.20
ACD/BCF (pH 7.4): 923.07
ACD/KOC (pH 7.4): 4609.04
Polar Surface Area: 54 Å2
Polarizability: 44.2±0.5 10-24cm3
Surface Tension: 51.6±3.0 dyne/cm
Molar Volume: 327.0±3.0 cm3

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