N-Methyl-2'-benzoyl-2,4'-dichloroacetanilide CAS NO.6021-21-2

The Acetamide,N-(2-benzoyl-4-chlorophenyl)-2-chloro-N-methyl-, with the CAS registry number 6021-21-2, is also known as 2-Chloro-N-[4-chloro-2-(phenylcarbonyl)phenyl]-N-methylacetamide. Its EINECS number is 227-875-3. This chemical's molecular formula is C₁₆H₁₃Cl₂NO₂ and molecular weight is 322.19. What's more, its systematic name is N-(2-Benzoyl-4-chlorophenyl)-2-chloro-N-methylacetamide.

Physical properties of Acetamide,N-(2-benzoyl-4-chlorophenyl)-2-chloro-N-methyl- are: (1)ACD/LogP: 3.21; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.21; (4)ACD/LogD (pH 7.4): 3.21; (5)ACD/BCF (pH 5.5): 160.94; (6)ACD/BCF (pH 7.4): 160.94; (7)ACD/KOC (pH 5.5): 1321.71; (8)ACD/KOC (pH 7.4): 1321.71; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 37.38 Å²; (13)Index of Refraction: 1.616; (14)Molar Refractivity: 84.76 cm³; (15)Molar Volume: 242.5 cm³; (16)Polarizability: 33.6×10^-24cm³; (17)Surface Tension: 51 dyne/cm; (18)Density: 1.328 g/cm³; (19)Flash Point: 261.8 °C; (20)Enthalpy of Vaporization: 77.98 kJ/mol; (21)Boiling Point: 509.3 °C at 760 mmHg; (22)Vapour Pressure: 1.72E-10 mmHg at 25°C.

Preparation: this chemical can be prepared by chloroacetyl chloride and 5-chloro-2-methylamino-benzophenone at the temperature of 40°C. This reaction will need reagent aq.NaHCO₃ and solvent toluene with the reaction time of 2 hours. The yield is about 92%.

Uses of Acetamide,N-(2-benzoyl-4-chlorophenyl)-2-chloro-N-methyl-: it can be used to produce 7-chloro-1-methyl-5-phenyl-1,3-dihydro-benzo[e][1,4]diazepin-2-one when it is heated. It will need reagent hexamine, hexamine hydrochloride and solvent aq. ethanol. The yield is about 90%.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc(c(N(C(=O)CCl)C)cc1)C(=O)c2ccccc2
(2)Std. InChI: InChI=1S/C16H13Cl2NO2/c1-19(15(20)10-17)14-8-7-12(18)9-13(14)16(21)11-5-3-2-4-6-11/h2-9H,10H2,1H3
(3)Std. InChIKey: DSAWUUVGNZAARH-UHFFFAOYSA-N

The Acetamide,N-(2-benzoyl-4-chlorophenyl)-2-chloro-N-methyl-, with the CAS registry number 6021-21-2, is also known as 2-Chloro-N-[4-chloro-2-(phenylcarbonyl)phenyl]-N-methylacetamide. Its EINECS number is 227-875-3. This chemical's molecular formula is C₁₆H₁₃Cl₂NO₂ and molecular weight is 322.19. What's more, its systematic name is N-(2-Benzoyl-4-chlorophenyl)-2-chloro-N-methylacetamide.

Physical properties of Acetamide,N-(2-benzoyl-4-chlorophenyl)-2-chloro-N-methyl- are: (1)ACD/LogP: 3.21; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.21; (4)ACD/LogD (pH 7.4): 3.21; (5)ACD/BCF (pH 5.5): 160.94; (6)ACD/BCF (pH 7.4): 160.94; (7)ACD/KOC (pH 5.5): 1321.71; (8)ACD/KOC (pH 7.4): 1321.71; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 37.38 Å²; (13)Index of Refraction: 1.616; (14)Molar Refractivity: 84.76 cm³; (15)Molar Volume: 242.5 cm³; (16)Polarizability: 33.6×10^-24cm³; (17)Surface Tension: 51 dyne/cm; (18)Density: 1.328 g/cm³; (19)Flash Point: 261.8 °C; (20)Enthalpy of Vaporization: 77.98 kJ/mol; (21)Boiling Point: 509.3 °C at 760 mmHg; (22)Vapour Pressure: 1.72E-10 mmHg at 25°C.

Preparation: this chemical can be prepared by chloroacetyl chloride and 5-chloro-2-methylamino-benzophenone at the temperature of 40°C. This reaction will need reagent aq.NaHCO₃ and solvent toluene with the reaction time of 2 hours. The yield is about 92%.

Uses of Acetamide,N-(2-benzoyl-4-chlorophenyl)-2-chloro-N-methyl-: it can be used to produce 7-chloro-1-methyl-5-phenyl-1,3-dihydro-benzo[e][1,4]diazepin-2-one when it is heated. It will need reagent hexamine, hexamine hydrochloride and solvent aq. ethanol. The yield is about 90%.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc(c(N(C(=O)CCl)C)cc1)C(=O)c2ccccc2
(2)Std. InChI: InChI=1S/C16H13Cl2NO2/c1-19(15(20)10-17)14-8-7-12(18)9-13(14)16(21)11-5-3-2-4-6-11/h2-9H,10H2,1H3
(3)Std. InChIKey: DSAWUUVGNZAARH-UHFFFAOYSA-N