TL;DR: 1-(4-fluorobenzyl)-1-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-3-(4-methoxyphenyl)urea (CAS 1022917-58-3) is a chemical compound with molecular formula C25H21F2N3O4 and molecular weight 465.15002 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-1-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)urea
Also Known As: 1-(4-fluorobenzyl)-1-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-3-(4-methoxyphenyl)urea, 1-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-1-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)urea
| Molecular Formula | C25H21F2N3O4 |
| Molecular Weight | 465.15002 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 79.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 465.15002 Da |
| Heavy Atoms | 34 |
| Complexity | 730.0 |
| SMILES | COC1=CC=C(C=C1)NC(=O)N(CC2=CC=C(C=C2)F)C3CC(=O)N(C3=O)C4=CC=C(C=C4)F |
| InChIKey | PMQAJGDVDBQAMZ-UHFFFAOYSA-N |
The XLogP value of 3.4 indicates that 1-(4-fluorobenzyl)-1-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-3-(4-methoxyphenyl)urea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-fluorobenzyl)-1-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-3-(4-methoxyphenyl)urea. Following Lipinski's Rule of Five, 1-(4-fluorobenzyl)-1-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-3-(4-methoxyphenyl)urea has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1-(4-fluorobenzyl)-1-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-3-(4-methoxyphenyl)urea is 1022917-58-3.
The molecular formula of 1-(4-fluorobenzyl)-1-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-3-(4-methoxyphenyl)urea is C25H21F2N3O4.
The molecular weight of 1-(4-fluorobenzyl)-1-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-3-(4-methoxyphenyl)urea is 465.15002 g/mol.
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