ChemSpider 2D Image | 4-({[(2-{[(3-Chloro-4-fluorophenyl)carbamoyl]amino}-3-pyridinyl)oxy]acetyl}amino)benzoic acid | C21H16ClFN4O5

4-({[(2-{[(3-Chloro-4-fluorophenyl)carbamoyl]amino}-3-pyridinyl)oxy]acetyl}amino)benzoic acid

  • Molecular FormulaC21H16ClFN4O5
  • Average mass458.827 Da
  • Monoisotopic mass458.079315 Da
  • ChemSpider ID65986416

More details:

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

4-({[(2-{[(3-Chlor-4-fluorphenyl)carbamoyl]amino}-3-pyridinyl)oxy]acetyl}amino)benzoesäure [German] [ACD/IUPAC Name]
4-({[(2-{[(3-Chloro-4-fluorophenyl)carbamoyl]amino}-3-pyridinyl)oxy]acetyl}amino)benzoic acid [ACD/IUPAC Name]
Acide 4-({2-[(2-{[(3-chloro-4-fluorophényl)carbamoyl]amino}-3-pyridinyl)oxy]acétyl}amino)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[2-[[2-[[[(3-chloro-4-fluorophenyl)amino]carbonyl]amino]-3-pyridinyl]oxy]acetyl]amino]- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 648.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 100.5±3.0 kJ/mol
Flash Point: 346.1±31.5 °C
Index of Refraction: 1.717
Molar Refractivity: 115.5±0.3 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.41
ACD/LogD (pH 5.5): 2.77
ACD/BCF (pH 5.5): 35.24
ACD/KOC (pH 5.5): 183.46
ACD/LogD (pH 7.4): 1.23
ACD/BCF (pH 7.4): 1.02
ACD/KOC (pH 7.4): 5.32
Polar Surface Area: 130 Å2
Polarizability: 45.8±0.5 10-24cm3
Surface Tension: 74.1±3.0 dyne/cm
Molar Volume: 293.2±3.0 cm3

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