Formamide,N-[5-[(1R)-2-bromo-1-hydroxyethyl]-2-(phenylmethoxy)phenyl]- (201677-59-0)

The (R)-N-(2-(Benzyloxy)-5-(2-bromo-1-hydroxyethyl)phenyl)formamide is an organic compound with the formula C₁₆H₁₆BrNO₃. The systematic name of this chemical is N-{2-(benzyloxy)-5-[(1R)-2-bromo-1-hydroxyethyl]phenyl}formamide. With the CAS registry number 201677-59-0, it is also named as formamide, N-[5-[(1R)-2-bromo-1-hydroxyethyl]-2-(phenylmethoxy)phenyl]-. The product's category is API Intermediates.

Physical properties about (R)-N-(2-(Benzyloxy)-5-(2-bromo-1-hydroxyethyl)phenyl)formamide are: (1)ACD/LogP: 2.00; (2)ACD/LogD (pH 5.5): 2; (3)ACD/LogD (pH 7.4): 2; (4)ACD/BCF (pH 5.5): 33; (5)ACD/BCF (pH 7.4): 33; (6)ACD/KOC (pH 5.5): 425; (7)ACD/KOC (pH 7.4): 425; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 7; (11)Polar Surface Area: 58.56 Å²; (12)Index of Refraction: 1.652; (13)Molar Refractivity: 86.034 cm³; (14)Molar Volume: 235.165 cm³; (15)Polarizability: 34.107×10^-24cm³; (16)Surface Tension: 57.646 dyne/cm; (17)Density: 1.489 g/cm³; (18)Flash Point: 292.262 °C; (19)Enthalpy of Vaporization: 88.595 kJ/mol; (20)Boiling Point: 559.644 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: BrC[C@H](O)c2ccc(OCc1ccccc1)c(c2)NC=O
(2)InChI: InChI=1/C16H16BrNO3/c17-9-15(20)13-6-7-16(14(8-13)18-11-19)21-10-12-4-2-1-3-5-12/h1-8,11,15,20H,9-10H2,(H,18,19)/t15-/m0/s1
(3)InChIKey: HKSUZIIGCSOMPX-HNNXBMFYBY
(4)Std. InChI: InChI=1S/C16H16BrNO3/c17-9-15(20)13-6-7-16(14(8-13)18-11-19)21-10-12-4-2-1-3-5-12/h1-8,11,15,20H,9-10H2,(H,18,19)/t15-/m0/s1
(5)Std. InChIKey: HKSUZIIGCSOMPX-HNNXBMFYSA-N