The Telithromycin intermediate (7A), with CAS registry number 160145-83-5, has the systematic name of N-(4-chlorophenyl)-2,2-dimethylpropanamide. And its IUPAC name is the same one. And it is also called propanamide, N-(4-chlorophenyl)-2,2-dimethyl-. And the chemical formula of this chemical is C11H14ClNO.
Physical properties of Telithromycin intermediate (7A): (1)ACD/LogP: 3.28; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.28; (4)ACD/LogD (pH 7.4): 3.28; (5)ACD/BCF (pH 5.5): 182.59; (6)ACD/BCF (pH 7.4): 182.59; (7)ACD/KOC (pH 5.5): 1446.66; (8)ACD/KOC (pH 7.4): 1446.66; (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: 1.557; (14)Molar Refractivity: 59.28 cm3; (15)Molar Volume: 184 cm3; (16)Polarizability: 23.5×10-24cm3; (17)Surface Tension: 39.4 dyne/cm; (18)Enthalpy of Vaporization: 59.69 kJ/mol; (19)Vapour Pressure: 3.93E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccc(NC(=O)C(C)(C)C)cc1
(2)InChI: InChI=1/C11H14ClNO/c1-11(2,3)10(14)13-9-6-4-8(12)5-7-9/h4-7H,1-3H3,(H,13,14)
(3)InChIKey: IZISMXMXCLUHGI-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C11H14ClNO/c1-11(2,3)10(14)13-9-6-4-8(12)5-7-9/h4-7H,1-3H3,(H,13,14)
(5)Std. InChIKey: IZISMXMXCLUHGI-UHFFFAOYSA-N
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