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CAS No.: | 33924-49-1 |
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Name: | 5-CHLORO-2-METHOXY-N-(2-PHENYLETHYL)BENZAMIDE |
Article Data: | 19 |
Molecular Structure: | |
Formula: | C16H16ClNO2 |
Molecular Weight: | 289.762 |
Synonyms: | o-Anisamide,5-chloro-N-phenethyl- (8CI);N-Phenethyl-5-chloro-2-methoxybenzamide;5-Chloro-2-methoxy-N-(2-phenylethyl)benzamide; |
EINECS: | 251-745-5 |
Density: | 1.192 g/cm3 |
Boiling Point: | 439 °C at 760 mmHg |
Flash Point: | 219.3 °C |
PSA: | 38.33000 |
LogP: | 3.71200 |
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The Benzamide,5-chloro-2-methoxy-N-(2-phenylethyl)-, with the CAS registry number 33924-49-1, is also known as N-Phenethyl-5-chloro-2-methoxybenzamide. Its EINECS number is 251-745-5. This chemical's molecular formula is C16H16ClNO2 and molecular weight is 289.76. What's more, its systematic name is 5-chloro-2-methoxy-N-(2-phenylethyl)benzamide.
Physical properties of Benzamide,5-chloro-2-methoxy-N-(2-phenylethyl)- are: (1)ACD/LogP: 3.63; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.63; (4)ACD/BCF (pH 5.5): 336.28; (5)ACD/KOC (pH 5.5): 2239.84; (6)#H bond acceptors: 3; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 5; (9)Polar Surface Area: 29.54 Å2; (10)Index of Refraction: 1.577; (11)Molar Refractivity: 80.56 cm3; (12)Molar Volume: 242.9 cm3; (13)Polarizability: 31.94×10-24cm3; (14)Surface Tension: 43.7 dyne/cm; (15)Density: 1.192 g/cm3; (16)Flash Point: 219.3 °C; (17)Enthalpy of Vaporization: 69.59 kJ/mol; (18)Boiling Point: 439 °C at 760 mmHg; (19)Vapour Pressure: 6.62E-08 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc(c(OC)cc1)C(=O)NCCc2ccccc2
(2)InChI: InChI=1S/C16H16ClNO2/c1-20-15-8-7-13(17)11-14(15)16(19)18-10-9-12-5-3-2-4-6-12/h2-8,11H,9-10H2,1H3,(H,18,19)
(3)InChIKey: MTPTUMXFGUUUSZ-UHFFFAOYSA-N