ChemSpider 2D Image | 1-[(3-Chloro-4-cyanophenyl)amino]-1-oxo-2-propanyl 4-[(2,4-difluorobenzoyl)amino]butanoate | C21H18ClF2N3O4

1-[(3-Chloro-4-cyanophenyl)amino]-1-oxo-2-propanyl 4-[(2,4-difluorobenzoyl)amino]butanoate

  • Molecular FormulaC21H18ClF2N3O4
  • Average mass449.835 Da
  • Monoisotopic mass449.095398 Da
  • ChemSpider ID33166393

More details:

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

1-[(3-Chlor-4-cyanphenyl)amino]-1-oxo-2-propanyl-4-[(2,4-difluorbenzoyl)amino]butanoat [German] [ACD/IUPAC Name]
1-[(3-Chloro-4-cyanophenyl)amino]-1-oxo-2-propanyl 4-[(2,4-difluorobenzoyl)amino]butanoate [ACD/IUPAC Name]
4-[(2,4-Difluorobenzoyl)amino]butanoate de 1-[(3-chloro-4-cyanophényl)amino]-1-oxo-2-propanyle [French] [ACD/IUPAC Name]
Butanoic acid, 4-[(2,4-difluorobenzoyl)amino]-, 2-[(3-chloro-4-cyanophenyl)amino]-1-methyl-2-oxoethyl ester [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 659.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.1±3.0 kJ/mol
Flash Point: 352.8±31.5 °C
Index of Refraction: 1.580
Molar Refractivity: 107.5±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 4.07
ACD/LogD (pH 5.5): 3.27
ACD/BCF (pH 5.5): 179.51
ACD/KOC (pH 5.5): 1429.17
ACD/LogD (pH 7.4): 3.27
ACD/BCF (pH 7.4): 179.49
ACD/KOC (pH 7.4): 1428.99
Polar Surface Area: 108 Å2
Polarizability: 42.6±0.5 10-24cm3
Surface Tension: 57.2±5.0 dyne/cm
Molar Volume: 322.8±5.0 cm3

Click to predict properties on the Chemicalize site


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