ChemSpider 2D Image | IOFLUBENZAMIDE | C21H25FIN3O3

IOFLUBENZAMIDE

  • Molecular FormulaC21H25FIN3O3
  • Average mass513.344 Da
  • Monoisotopic mass513.092468 Da
  • ChemSpider ID9435826

More details:

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

864462-68-0 [RN]
Benzamide, N-[2-(diethylamino)ethyl]-4-[(4-fluorobenzoyl)amino]-5-iodo-2-methoxy- [ACD/Index Name]
IOFLUBENZAMIDE
N-[2-(Diethylamino)ethyl]-4-[(4-fluorbenzoyl)amino]-5-iod-2-methoxybenzamid [German] [ACD/IUPAC Name]
N-[2-(Diethylamino)ethyl]-4-[(4-fluorobenzoyl)amino]-5-iodo-2-methoxybenzamide [ACD/IUPAC Name]
N-[2-(Diéthylamino)éthyl]-4-[(4-fluorobenzoyl)amino]-5-iodo-2-méthoxybenzamide [French] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL2111095/
Ioflubenzamide I-131 [USAN]
N-(2-diethylaminoethyl)-4-[(4-fluorobenzoyl)amino]-5-iodo-2-methoxybenzamide
N-(2-diethylaminoethyl)-4-[(4-fluorobenzoyl)amino]-5-iodo-2-methoxy-benzamide
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

MKF8K5KWLJ [DBID]
UNII-MKF8K5KWLJ [DBID]
UNII:MKF8K5KWLJ [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 493.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.1±3.0 kJ/mol
Flash Point: 252.4±28.7 °C
Index of Refraction: 1.610
Molar Refractivity: 120.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 4.54
ACD/LogD (pH 5.5): 0.38
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.64
ACD/LogD (pH 7.4): 1.60
ACD/BCF (pH 7.4): 3.57
ACD/KOC (pH 7.4): 26.79
Polar Surface Area: 71 Å2
Polarizability: 47.9±0.5 10-24cm3
Surface Tension: 49.3±3.0 dyne/cm
Molar Volume: 348.7±3.0 cm3

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