ChemSpider 2D Image | 2-Chloro-5-{[(3-{2-[(4-fluorophenyl)amino]-2-oxoethoxy}-2-pyridinyl)carbamoyl]amino}benzoic acid | C21H16ClFN4O5

2-Chloro-5-{[(3-{2-[(4-fluorophenyl)amino]-2-oxoethoxy}-2-pyridinyl)carbamoyl]amino}benzoic acid

  • Molecular FormulaC21H16ClFN4O5
  • Average mass458.827 Da
  • Monoisotopic mass458.079315 Da
  • ChemSpider ID65984643

More details:

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

2-Chlor-5-{[(3-{2-[(4-fluorphenyl)amino]-2-oxoethoxy}-2-pyridinyl)carbamoyl]amino}benzoesäure [German] [ACD/IUPAC Name]
2-Chloro-5-{[(3-{2-[(4-fluorophenyl)amino]-2-oxoethoxy}-2-pyridinyl)carbamoyl]amino}benzoic acid [ACD/IUPAC Name]
Acide 2-chloro-5-{[(3-{2-[(4-fluorophényl)amino]-2-oxoéthoxy}-2-pyridinyl)carbamoyl]amino}benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 2-chloro-5-[[[[3-[2-[(4-fluorophenyl)amino]-2-oxoethoxy]-2-pyridinyl]amino]carbonyl]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: 643.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.8±3.0 kJ/mol
Flash Point: 343.2±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: 3.55
ACD/LogD (pH 5.5): 0.91
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.07
ACD/LogD (pH 7.4): 0.34
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.35
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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