TL;DR: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-fluoro-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]benzamide (CAS 1039039-95-6) is a chemical compound with molecular formula C27H24F2N2O5 and molecular weight 494.1653 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-fluoro-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]benzamide
Also Known As: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-fluoro-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]benzamide, N-(3,4-dimethoxyphenethyl)-3-fluoro-N-(1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl)benzamide
| Molecular Formula | C27H24F2N2O5 |
| Molecular Weight | 494.1653 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 76.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 494.1653 Da |
| Heavy Atoms | 36 |
| Complexity | 790.0 |
| SMILES | COC1=C(C=C(C=C1)CCN(C2CC(=O)N(C2=O)C3=CC=C(C=C3)F)C(=O)C4=CC(=CC=C4)F)OC |
| InChIKey | LKACZRKVNXSLEG-UHFFFAOYSA-N |
The XLogP value of 4.1 indicates that N-[2-(3,4-dimethoxyphenyl)ethyl]-3-fluoro-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.2 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[2-(3,4-dimethoxyphenyl)ethyl]-3-fluoro-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]benzamide. Following Lipinski's Rule of Five, N-[2-(3,4-dimethoxyphenyl)ethyl]-3-fluoro-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]benzamide has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of N-[2-(3,4-dimethoxyphenyl)ethyl]-3-fluoro-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]benzamide is 1039039-95-6.
The molecular formula of N-[2-(3,4-dimethoxyphenyl)ethyl]-3-fluoro-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]benzamide is C27H24F2N2O5.
The molecular weight of N-[2-(3,4-dimethoxyphenyl)ethyl]-3-fluoro-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]benzamide is 494.1653 g/mol.
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