Acetamide,2-bromo-N-cyclohexyl- (63177-66-2)

The 2-Bromo-N-cyclohexylacetamide with cas registry number of 63177-66-2, has the systematic name of 2-bromo-N-cyclohexylacetamide. And its IUPAC name is the same one. Besides this, it is also named CHEMBRDG-BB 4023679.

Physical properties about this chemical are: (1)ACD/LogP: 1.87; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.87; (4)ACD/LogD (pH 7.4): 1.87; (5)ACD/BCF (pH 5.5): 15.46; (6)ACD/BCF (pH 7.4): 15.46; (7)ACD/KOC (pH 5.5): 247.05; (8)ACD/KOC (pH 7.4): 247.05; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 20.31 Å²; (13)Index of Refraction: 1.513; (14)Molar Refractivity: 48.51 cm³; (15)Molar Volume: 161.2 cm³; (16)Polarizability: 19.23×10^-24cm³; (17)Surface Tension: 39.7 dyne/cm; (18)Enthalpy of Vaporization: 58.32 kJ/mol; (19)Vapour Pressure: 9.04E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
(1)SMILES: O=C(NC1CCCCC1)CBr;
(2)InChI: InChI=1/C8H14BrNO/c9-6-8(11)10-7-4-2-1-3-5-7/h7H,1-6H2,(H,10,11);
(3)InChIKey: VQKRFCPNGGNHNN-UHFFFAOYAY;
(4)Std. InChI: InChI=1S/C8H14BrNO/c9-6-8(11)10-7-4-2-1-3-5-7/h7H,1-6H2,(H,10,11);
(5)Std. InChIKey: VQKRFCPNGGNHNN-UHFFFAOYSA-N