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Basic Information
CAS No.: 33942-96-0
Name: 2'-Chloro-5'-(dodecyloxycarbonyl)-2-(4-methoxybenzoyl)acetanilide
Molecular Structure:
Molecular Structure of 33942-96-0 (2'-Chloro-5'-(dodecyloxycarbonyl)-2-(4-methoxybenzoyl)acetanilide)
Formula: C29H38ClNO5
Molecular Weight: 516.077
Synonyms: Benzoicacid, 3-(2-p-anisoylacetamido)-4-chloro-, dodecyl ester (8CI);2'-Chloro-5'-(dodecyloxycarbonyl)-2-(4-methoxybenzoyl)acetanilide;
Density: 1.137 g/cm3
Boiling Point: 672.267 °C at 760 mmHg
Flash Point: 360.374 °C
PSA: 85.19000
LogP: 8.28730
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Specification

The systematic name of 2'-Chloro-5'-(dodecyloxycarbonyl)-2-(4-methoxybenzoyl)acetanilide is Dodecyl 4-chloro-3-{[3-(4-methoxyphenyl)-3-oxopropanoyl]amino}benzoate. With the CAS registry number 33942-96-0, it is also named as Benzoic acid, 4-chloro-3-((3-(4-methoxyphenyl)-1,3-dioxopropyl)amino)-, dodecyl ester. In addition, its molecular formula is C29H38ClNO5 and its molecular weight is 516.08. 

The other characteristics of 2'-Chloro-5'-(dodecyloxycarbonyl)-2-(4-methoxybenzoyl)acetanilide can be summarized as: (1)ACD/LogP: 8.08; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 9; (4)ACD/LogD (pH 7.4): 9; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 1934699; (8)ACD/KOC (pH 7.4): 1816239; (9)H bond acceptors: 6; (10)H bond donors: 1; (11)Freely Rotating Bonds: 18; (12)Polar Surface Area: 81.7 Å2; (13)Index of Refraction: 1.549; (14)Molar Refractivity: 144.432 cm3; (15)Molar Volume: 453.858 cm3; (16)Polarizability: 57.257×10-24cm3; (17)Surface Tension: 43.645 dyne/cm; (18)Density: 1.137 g/cm3; (19)Flash Point: 360.374 °C; (20)Enthalpy of Vaporization: 98.756 kJ/mol; (21)Boiling Point: 672.267 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:Clc2ccc(cc2NC(=O)CC(=O)c1ccc(OC)cc1)C(=O)OCCCCCCCCCCCC
(2)InChI:InChI=1/C29H38ClNO5/c1-3-4-5-6-7-8-9-10-11-12-19-36-29(34)23-15-18-25(30)26(20-23)31-28(33)21-27(32)22-13-16-24(35-2)17-14-22/h13-18,20H,3-12,19,21H2,1-2H3,(H,31,33)
(3)InChIKey:AOMUALOCHQKUCD-UHFFFAOYAM
(4)Std. InChI:InChI=1S/C29H38ClNO5/c1-3-4-5-6-7-8-9-10-11-12-19-36-29(34)23-15-18-25(30)26(20-23)31-28(33)21-27(32)22-13-16-24(35-2)17-14-22/h13-18,20H,3-12,19,21H2,1-2H3,(H,31,33)
(5)Std. InChIKey:AOMUALOCHQKUCD-UHFFFAOYSA-N