Acetamide,N-[4-bromo-2-(2-pyridinylcarbonyl)phenyl]-2-chloro- (41526-21-0)

The IUPAC name of N-[4-Bromo-2-(2-pyridylcarbonyl)phenyl]-2-chloroacetamide is N-[4-bromo-2-(pyridine-2-carbonyl)phenyl]-2-chloroacetamide. With the CAS registry number 41526-21-0, it is also named as 2-[2-(2-Chloroacetamido)-5-bromobenzoyl]pyridine. The product's category is Intermediate of Bromazepam. In addition, its molecular formula is C₁₄H₁₀BrClN₂O₂ and its molecular weight is 353.60. 

The other characteristics of N-[4-Bromo-2-(2-pyridylcarbonyl)phenyl]-2-chloroacetamide can be summarized as: (1)EINECS: 255-427-7; (2)ACD/LogP: 3.82; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): 3.82; (5)ACD/LogD (pH 7.4): 3.82; (6)ACD/BCF (pH 5.5): 468.77; (7)ACD/BCF (pH 7.4): 468.72; (8)ACD/KOC (pH 5.5): 2841.03; (9)ACD/KOC (pH 7.4): 2840.7; (10)H bond acceptors: 4; (11)H bond donors: 1; (12)Freely Rotating Bonds: 4; (13)Polar Surface Area: 50.27 Å²; (14)Index of Refraction: 1.651; (15)Molar Refractivity: 80.94 cm³; (16)Molar Volume: 221.4 cm³; (17)Polarizability: 32.09×10^-24cm³; (18)Surface Tension: 59 dyne/cm; (19)Density: 1.596 g/cm³; (20)Flash Point: 301.1 °C; (21)Enthalpy of Vaporization: 86.04 kJ/mol; (22)Boiling Point: 574.3 °C at 760 mmHg; (23)Vapour Pressure: 3.41E-13 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:O=C(c1cc(Br)ccc1NC(=O)CCl)c2ncccc2
(2)InChI:InChI=1/C14H10BrClN2O2/c15-9-4-5-11(18-13(19)8-16)10(7-9)14(20)12-3-1-2-6-17-12/h1-7H,8H2,(H,18,19)
(3)InChIKey:LYISZEZBKBGONS-UHFFFAOYAB
(4)Std. InChI:InChI=1S/C14H10BrClN2O2/c15-9-4-5-11(18-13(19)8-16)10(7-9)14(20)12-3-1-2-6-17-12/h1-7H,8H2,(H,18,19)
(5)Std. InChIKey:LYISZEZBKBGONS-UHFFFAOYSA-N