ChemSpider 2D Image | 2-({2-[(3-Fluoro-4-methylphenyl)amino]-4-pyrimidinyl}amino)benzoic acid | C18H15FN4O2

2-({2-[(3-Fluoro-4-methylphenyl)amino]-4-pyrimidinyl}amino)benzoic acid

  • Molecular FormulaC18H15FN4O2
  • Average mass338.336 Da
  • Monoisotopic mass338.117889 Da
  • ChemSpider ID23287554

More details:

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

2-({2-[(3-Fluor-4-methylphenyl)amino]-4-pyrimidinyl}amino)benzoesäure [German] [ACD/IUPAC Name]
2-({2-[(3-Fluoro-4-methylphenyl)amino]-4-pyrimidinyl}amino)benzoic acid [ACD/IUPAC Name]
2-({2-[(3-fluoro-4-methylphenyl)amino]pyrimidin-4-yl}amino)benzoic acid
Acide 2-({2-[(3-fluoro-4-méthylphényl)amino]-4-pyrimidinyl}amino)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 2-[[2-[(3-fluoro-4-methylphenyl)amino]-4-pyrimidinyl]amino]- [ACD/Index Name]
2-(2-(3-fluoro-4-methylphenylamino)pyrimidin-4-ylamino)benzoic acid
4-anilinopyrimidine 8i
Kinome_1248

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

Density: 1.4±0.1 g/cm3
Boiling Point: 559.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.5±3.0 kJ/mol
Flash Point: 291.9±32.9 °C
Index of Refraction: 1.698
Molar Refractivity: 92.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.06
ACD/LogD (pH 5.5): 2.91
ACD/BCF (pH 5.5): 30.00
ACD/KOC (pH 5.5): 100.33
ACD/LogD (pH 7.4): 2.02
ACD/BCF (pH 7.4): 3.85
ACD/KOC (pH 7.4): 12.86
Polar Surface Area: 87 Å2
Polarizability: 36.8±0.5 10-24cm3
Surface Tension: 66.9±3.0 dyne/cm
Molar Volume: 241.0±3.0 cm3

Click to predict properties on the Chemicalize site


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