5-Bromo-N-[[1-[(4-Fluorophenyl)Methyl]Pyrrolidin-2-Yl]Methyl]-2,3-Dimethoxybenzamide
[CAS# 107188-68-1]

Identification

• Name: 5-Bromo-N-[[1-[(4-Fluorophenyl)Methyl]Pyrrolidin-2-Yl]Methyl]-2,3-Dimethoxybenzamide
• Synonyms: 5-Bromo-N-[[1-[(4-Fluorophenyl)Methyl]Pyrrolidin-2-Yl]Methyl]-2,3-Dimethoxy-Benzamide; 5-Bromo-N-[[1-[(4-Fluorophenyl)Methyl]-2-Pyrrolidinyl]Methyl]-2,3-Dimethoxybenzamide; 5-Bromo-N-[[1-(4-Fluorobenzyl)Pyrrolidin-2-Yl]Methyl]-2,3-Dimethoxy-Benzamide
• Molecular Formula: C₂₁H₂₄BrFN₂O₃
• Molecular Weight: 451.33
• CAS Registry Number: 107188-68-1
• SMILES: C3=C(Br)C=C(C(=O)NCC1CCCN1CC2=CC=C(C=C2)F)C(=C3OC)OC
• InChI: 1S/C21H24BrFN2O3/c1-27-19-11-15(22)10-18(20(19)28-2)21(26)24-12-17-4-3-9-25(17)13-14-5-7-16(23)8-6-14/h5-8,10-11,17H,3-4,9,12-13H2,1-2H3,(H,24,26)
• InChIKey: OHMIBGFTDCPQGJ-UHFFFAOYSA-N

Properties

• Density: 1.358g/cm³ (Cal.)
• Boiling point: 496.36°C at 760 mmHg (Cal.)
• Flash point: 253.989°C (Cal.)