Oxanilide

The Oxanilide is an organic compound with the formula C₁₄H₁₂N₂O₂. The systematic name of this chemical is N,N'-diphenylethanediamide. With the CAS registry number 620-81-5, it is also named as Ethanediamide, N,N'-diphenyl-. Besides, it is a white to off-white flaky powder, which should be stored in a closed cool and dry place. It is used for organic synthesis and pharmaceuticals.

Physical properties about Oxanilide are: (1)ACD/LogP: 2.21; (2)ACD/LogD (pH 5.5): 2.21; (3)ACD/LogD (pH 7.4): 2.21; (4)ACD/BCF (pH 5.5): 28.24; (5)ACD/BCF (pH 7.4): 28.23; (6)ACD/KOC (pH 5.5): 380.32; (7)ACD/KOC (pH 7.4): 380.21; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 40.62 Å²; (12)Index of Refraction: 1.684; (13)Molar Refractivity: 69.73 cm³; (14)Molar Volume: 183.4 cm³; (15)Polarizability: 27.64×10^-24cm³; (16)Surface Tension: 59.8 dyne/cm; (17)Density: 1.309 g/cm³.

Preparation: this chemical can be prepared by aniline and oxalyl dichloride. This reaction will need solvent tetrahydrofuran. The reaction time is 30 min. The yield is about 95%.

Uses of Oxanilide: it can be used to produce bis(phenylimidoyl-1-benzotriazole) at temperature of 20 °C. It will need reagent SOCl₂ and solvent benzene with reaction time of 4 hours. The yield is about 86%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Nc1ccccc1)C(=O)Nc2ccccc2
(2)InChI: InChI=1/C14H12N2O2/c17-13(15-11-7-3-1-4-8-11)14(18)16-12-9-5-2-6-10-12/h1-10H,(H,15,17)(H,16,18)
(3)InChIKey: FTWUXYZHDFCGSV-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C14H12N2O2/c17-13(15-11-7-3-1-4-8-11)14(18)16-12-9-5-2-6-10-12/h1-10H,(H,15,17)(H,16,18)
(5)Std. InChIKey: FTWUXYZHDFCGSV-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rat	LD	intraperitoneal	> 10gm/kg (10000mg/kg)		Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 27(3), Pg. 52, 1983.
rat	LD	oral	> 10gm/kg (10000mg/kg)		Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 27(3), Pg. 52, 1983.