ChemSpider 2D Image | (2R)-3-{[1-(Carbamoylamino)-2-methyl-2-propanyl]amino}-2-hydroxypropyl 2-fluorobenzoate | C15H22FN3O4

(2R)-3-{[1-(Carbamoylamino)-2-methyl-2-propanyl]amino}-2-hydroxypropyl 2-fluorobenzoate

  • Molecular FormulaC15H22FN3O4
  • Average mass327.351 Da
  • Monoisotopic mass327.159424 Da
  • ChemSpider ID34992056

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-3-{[1-(Carbamoylamino)-2-methyl-2-propanyl]amino}-2-hydroxypropyl 2-fluorobenzoate [ACD/IUPAC Name]
(2R)-3-{[1-(Carbamoylamino)-2-methyl-2-propanyl]amino}-2-hydroxypropyl-2-fluorbenzoat [German] [ACD/IUPAC Name]
2-Fluorobenzoate de (2R)-3-{[1-(carbamoylamino)-2-méthyl-2-propanyl]amino}-2-hydroxypropyle [French] [ACD/IUPAC Name]
Benzoic acid, 2-fluoro-, (2R)-3-[[2-[(aminocarbonyl)amino]-1,1-dimethylethyl]amino]-2-hydroxypropyl ester [ACD/Index Name]
87721-62-8 [RN]
flestolol [INN]
UNII-LI02075E1W

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

Density: 1.2±0.1 g/cm3
Boiling Point: 491.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.8±3.0 kJ/mol
Flash Point: 250.9±28.7 °C
Index of Refraction: 1.540
Molar Refractivity: 82.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 0.53
ACD/LogD (pH 5.5): -1.50
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.20
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 14.17
Polar Surface Area: 114 Å2
Polarizability: 32.8±0.5 10-24cm3
Surface Tension: 49.0±3.0 dyne/cm
Molar Volume: 263.4±3.0 cm3

Click to predict properties on the Chemicalize site


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