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CAS No.: | 18543-22-1 |
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Name: | BENZAMIDE, N-[2-(AMINOCARBONYL)PHENYL]- |
Article Data: | 28 |
Molecular Structure: | |
Formula: | C14H12N2O2 |
Molecular Weight: | 240.261 |
Synonyms: | Benzanilide,2'-carbamoyl- (6CI);N,2'-Bibenzamide (8CI);2'-Carbamoylbenzanilide;2-[(Phenylcarbonyl)amino]benzamide; |
Density: | 1.284 g/cm3 |
Boiling Point: | 353 °C at 760 mmHg |
Flash Point: | 167.3 °C |
PSA: | 72.19000 |
LogP: | 2.81110 |
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The Benzamide,N-[2-(aminocarbonyl)phenyl]- , with the CAS registry number 18543-22-1, is also known as 2-[(Phenylcarbonyl)amino]benzamide. This chemical's molecular formula is C14H12N2O2 and molecular weight is 240.26. What's more, both its IUPAC name and systematic name are the same which is called 2-Benzamidobenzamide.
Physical properties about Benzamide,N-[2-(aminocarbonyl)phenyl]-are: (1)ACD/LogP: 2.26; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.26; (4)ACD/LogD (pH 7.4): 2.26; (5)ACD/BCF (pH 5.5): 30.85; (6)ACD/BCF (pH 7.4): 30.85; (7)ACD/KOC (pH 5.5): 405.2; (8)ACD/KOC (pH 7.4): 405.2; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 40.62Å2; (13)Index of Refraction: 1.668; (14)Molar Refractivity: 69.75 cm3; (15)Molar Volume: 187 cm3; (16)Polarizability: 27.65×10-24 cm3; (17)Surface Tension: 60.3 dyne/cm; (18)Density: 1.284 g/cm3; (19)Flash Point: 167.3 °C; (20)Enthalpy of Vaporization: 59.78 kJ/mol; (21)Boiling Point: 353 °C at 760 mmHg; (22)Vapour Pressure: 3.71E-05 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Nc1ccccc1C(=O)N)c2ccccc2
(2)InChI: InChI=1/C14H12N2O2/c15-13(17)11-8-4-5-9-12(11)16-14(18)10-6-2-1-3-7-10/h1-9H,(H2,15,17)(H,16,18)
(3)InChIKey: SISHWAKQUGSWBG-UHFFFAOYAR