TL;DR: 1-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-1-(4-fluorobenzyl)-3-(4-fluorophenyl)urea (CAS 1042696-33-2) is a chemical compound with molecular formula C24H18ClF2N3O3 and molecular weight 469.10046 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-3-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]urea
Also Known As: 1-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-1-(4-fluorobenzyl)-3-(4-fluorophenyl)urea, 1-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-3-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]urea, N-[1-(4-CHLOROPHENYL)-2,5-DIOXOTETRAHYDRO-1H-PYRROL-3-YL]-N-(4-FLUOROBENZYL)-N'-(4-FLUOROPHENYL)UREA
| Molecular Formula | C24H18ClF2N3O3 |
| Molecular Weight | 469.10046 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 69.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 469.10046 Da |
| Heavy Atoms | 33 |
| Complexity | 718.0 |
| SMILES | C1C(C(=O)N(C1=O)C2=CC=C(C=C2)Cl)N(CC3=CC=C(C=C3)F)C(=O)NC4=CC=C(C=C4)F |
| InChIKey | QVSWYKKRFXZXJN-UHFFFAOYSA-N |
The XLogP value of 4.0 indicates that 1-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-1-(4-fluorobenzyl)-3-(4-fluorophenyl)urea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-1-(4-fluorobenzyl)-3-(4-fluorophenyl)urea. Following Lipinski's Rule of Five, 1-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-1-(4-fluorobenzyl)-3-(4-fluorophenyl)urea has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-1-(4-fluorobenzyl)-3-(4-fluorophenyl)urea is 1042696-33-2.
The molecular formula of 1-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-1-(4-fluorobenzyl)-3-(4-fluorophenyl)urea is C24H18ClF2N3O3.
The molecular weight of 1-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-1-(4-fluorobenzyl)-3-(4-fluorophenyl)urea is 469.10046 g/mol.
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