TL;DR: N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-3-fluoro-N-[2-(4-methoxyphenyl)ethyl]benzamide (CAS 1044736-42-6) is a chemical compound with molecular formula C26H22BrFN2O4 and molecular weight 524.0747 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-3-fluoro-N-[2-(4-methoxyphenyl)ethyl]benzamide
Also Known As: N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-3-fluoro-N-[2-(4-methoxyphenyl)ethyl]benzamide, N-(1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl)-3-fluoro-N-(4-methoxyphenethyl)benzamide, N-[1-(4-bromophenyl)-2,5-dioxo-pyrrolidin-3-yl]-3-fluoro-N-[2-(4-methoxyphenyl)ethyl]benzamide
| Molecular Formula | C26H22BrFN2O4 |
| Molecular Weight | 524.0747 g/mol |
| XLogP | 4.7 |
| Topological Polar Surface Area (TPSA) | 66.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 524.0747 Da |
| Heavy Atoms | 34 |
| Complexity | 736.0 |
| SMILES | COC1=CC=C(C=C1)CCN(C2CC(=O)N(C2=O)C3=CC=C(C=C3)Br)C(=O)C4=CC(=CC=C4)F |
| InChIKey | HYNOIXUPQZOQEK-UHFFFAOYSA-N |
The XLogP value of 4.7 indicates that N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-3-fluoro-N-[2-(4-methoxyphenyl)ethyl]benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.9 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-3-fluoro-N-[2-(4-methoxyphenyl)ethyl]benzamide. Following Lipinski's Rule of Five, N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-3-fluoro-N-[2-(4-methoxyphenyl)ethyl]benzamide has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-3-fluoro-N-[2-(4-methoxyphenyl)ethyl]benzamide is 1044736-42-6.
The molecular formula of N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-3-fluoro-N-[2-(4-methoxyphenyl)ethyl]benzamide is C26H22BrFN2O4.
The molecular weight of N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-3-fluoro-N-[2-(4-methoxyphenyl)ethyl]benzamide is 524.0747 g/mol.
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