Propanamide,2-[[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]amino]-, (2S)- (133865-88-0)

The Ralfinamide with the CAS number 133865-88-0 is also called Propanamide,2-[[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]amino]-, (2S)-. The IUPAC name is (2S)-2-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]propanamide. Its molecular formula is C₁₇H₁₉FN₂O₂. This chemical belongs to the following classification codes: (1)Analgesic ; (2)Sodium Channel Blocker.

The properties of the Ralfinamide are: (1)ACD/LogP: 2.37; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.22; (4)ACD/LogD (pH 7.4): 2.3; (5)ACD/BCF (pH 5.5): 2.63; (6)ACD/BCF (pH 7.4): 31.76; (7)ACD/KOC (pH 5.5): 32.76; (8)ACD/KOC (pH 7.4): 395.93; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 32.78 Å²; (13)Index of Refraction: 1.569; (14)Molar Refractivity: 83.34 cm3; (15)Molar Volume: 254.1 cm3; (16)Polarizability: 33.04 10-24cm3; (17)Surface Tension: 45.1 dyne/cm; (18)Enthalpy of Vaporization: 74.32 kJ/mol; (19)Vapour Pressure: 2.46E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(N)[C@@H](NCc2ccc(OCc1ccccc1F)cc2)C
(2)InChI: InChI=1/C17H19FN2O2/c1-12(17(19)21)20-10-13-6-8-15(9-7-13)22-11-14-4-2-3-5-16(14)18/h2-9,12,20H,10-11H2,1H3,(H2,19,21)/t12-/m0/s1
(3)InChIKey: BHJIBOFHEFDSAU-LBPRGKRZBM