ChemSpider 2D Image | Methyl 4-({[1-(2-amino-2-oxoethyl)-4-piperidinyl]carbamoyl}amino)-2-chlorobenzoate | C16H21ClN4O4

Methyl 4-({[1-(2-amino-2-oxoethyl)-4-piperidinyl]carbamoyl}amino)-2-chlorobenzoate

  • Molecular FormulaC16H21ClN4O4
  • Average mass368.815 Da
  • Monoisotopic mass368.125122 Da
  • ChemSpider ID30942118

More details:

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

4-({[1-(2-Amino-2-oxoéthyl)-4-pipéridinyl]carbamoyl}amino)-2-chlorobenzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[[[1-(2-amino-2-oxoethyl)-4-piperidinyl]amino]carbonyl]amino]-2-chloro-, methyl ester [ACD/Index Name]
Methyl 4-({[1-(2-amino-2-oxoethyl)-4-piperidinyl]carbamoyl}amino)-2-chlorobenzoate [ACD/IUPAC Name]
Methyl-4-({[1-(2-amino-2-oxoethyl)-4-piperidinyl]carbamoyl}amino)-2-chlorbenzoat [German] [ACD/IUPAC Name]
METHYL 4-({[1-(CARBAMOYLMETHYL)PIPERIDIN-4-YL]CARBAMOYL}AMINO)-2-CHLOROBENZOATE
methyl 4-[({[1-(2-amino-2-oxoethyl)piperidin-4-yl]amino}carbonyl)amino]-2-chlorobenzoate

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

Density: 1.4±0.1 g/cm3
Boiling Point: 549.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.0±3.0 kJ/mol
Flash Point: 286.4±30.1 °C
Index of Refraction: 1.606
Molar Refractivity: 92.7±0.4 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.55
ACD/LogD (pH 5.5): 0.59
ACD/BCF (pH 5.5): 1.04
ACD/KOC (pH 5.5): 20.51
ACD/LogD (pH 7.4): 1.41
ACD/BCF (pH 7.4): 6.83
ACD/KOC (pH 7.4): 134.77
Polar Surface Area: 114 Å2
Polarizability: 36.8±0.5 10-24cm3
Surface Tension: 62.8±5.0 dyne/cm
Molar Volume: 268.7±5.0 cm3

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