ChemSpider 2D Image | 5-Cyano-2-fluorobenzyl 4-{2-[(4-fluorophenyl)amino]-2-oxoethoxy}-3-methoxybenzoate | C24H18F2N2O5

5-Cyano-2-fluorobenzyl 4-{2-[(4-fluorophenyl)amino]-2-oxoethoxy}-3-methoxybenzoate

  • Molecular FormulaC24H18F2N2O5
  • Average mass452.407 Da
  • Monoisotopic mass452.118378 Da
  • ChemSpider ID22089129

More details:

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

4-{2-[(4-Fluorophényl)amino]-2-oxoéthoxy}-3-méthoxybenzoate de 5-cyano-2-fluorobenzyle [French] [ACD/IUPAC Name]
5-Cyan-2-fluorbenzyl-4-{2-[(4-fluorphenyl)amino]-2-oxoethoxy}-3-methoxybenzoat [German] [ACD/IUPAC Name]
5-Cyano-2-fluorobenzyl 4-{2-[(4-fluorophenyl)amino]-2-oxoethoxy}-3-methoxybenzoate [ACD/IUPAC Name]
Benzoic acid, 4-[2-[(4-fluorophenyl)amino]-2-oxoethoxy]-3-methoxy-, (5-cyano-2-fluorophenyl)methyl ester [ACD/Index Name]
(5-CYANO-2-FLUOROPHENYL)METHYL 4-{[(4-FLUOROPHENYL)CARBAMOYL]METHOXY}-3-METHOXYBENZOATE

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

Density: 1.4±0.1 g/cm3
Boiling Point: 668.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.3±3.0 kJ/mol
Flash Point: 358.3±31.5 °C
Index of Refraction: 1.606
Molar Refractivity: 113.2±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 4.30
ACD/LogD (pH 5.5): 3.70
ACD/BCF (pH 5.5): 381.95
ACD/KOC (pH 5.5): 2453.59
ACD/LogD (pH 7.4): 3.70
ACD/BCF (pH 7.4): 381.95
ACD/KOC (pH 7.4): 2453.57
Polar Surface Area: 98 Å2
Polarizability: 44.9±0.5 10-24cm3
Surface Tension: 59.0±5.0 dyne/cm
Molar Volume: 328.3±5.0 cm3

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