Name: 4-Chloro-N-cyclohexylbenzamide
SKU: 57707-20-7

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Basic Information

Molecular Structure:
CAS No.:	57707-20-7
Name:	4-Chloro-N-cyclohexylbenzamide
Article Data:	27

Formula:	C₁₃H₁₆ClNO
Molecular Weight:	237.729
Synonyms:	4-Chloro-N-cyclohexylbenzamide;N-Cyclohexyl-4-chlorobenzamide;N-Cyclohexyl-p-chlorobenzamide;NSC 14855;
Density:	1.17 g/cm³
Boiling Point:	395.6 °C at 760 mmHg
Flash Point:	193 °C
PSA:	29.10000
LogP:	3.79340

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Specification

The Benzamide, 4-chloro-N-cyclohexyl-, with the CAS registry number of 57707-20-7, is also known as N-Cyclohexyl 4-chlorobenzamide. It belongs to the product categories of Blocks; Carboxes. This chemical's molecular formula is C₁₃H₁₆ClNO and molecular weight is 237.7252. What's more, its IUPAC name is 4-Chloro-N-cyclohexylbenzamide.

Physical properties about Benzamide, 4-chloro-N-cyclohexyl- are: (1)ACD/LogP: 3.68; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.68; (4)ACD/LogD (pH 7.4): 3.68; (5)ACD/BCF (pH 5.5): 371.17; (6)ACD/BCF (pH 7.4): 371.17; (7)ACD/KOC (pH 5.5): 2403.85; (8)ACD/KOC (pH 7.4): 2403.85; (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: 1.561; (14)Molar Refractivity: 65.69 cm³; (15)Molar Volume: 202.7 cm³; (16)Surface Tension: 44.2 dyne/cm; (17)Density: 1.17 g/cm³; (18)Flash Point: 193 °C; (19)Enthalpy of Vaporization: 64.58 kJ/mol; (20)Boiling Point: 395.6 °C at 760 mmHg; (21)Vapour Pressure: 1.82E-06 mmHg at 25 °C.

Preparation: this chemical is prepared by Cyclohexylamine at ambient temperature. The reaction needs reagent Triethylamine and solvent Benzene. The reaction time is 30 minutes. The yield is about 78 %.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(NC1CCCCC1)c2ccc(Cl)cc2
(2) InChI: InChI=1/C13H16ClNO/c14-11-8-6-10(7-9-11)13(16)15-12-4-2-1-3-5-12/h6-9,12H,1-5H2,(H,15,16)
(3) InChIKey: KSXFAESIEUQWLY-UHFFFAOYAS