TL;DR: 3-chloro-4-[(4-chlorophenyl)amino]-1-(2-phenylethyl)-1H-pyrrole-2,5-dione (CAS 459419-51-3) is a chemical compound with molecular formula C18H14Cl2N2O2 and molecular weight 360.04324 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-chloro-4-(4-chloroanilino)-1-(2-phenylethyl)pyrrole-2,5-dione
Also Known As: 3-chloro-4-((4-chlorophenyl)amino)-1-phenethyl-1H-pyrrole-2,5-dione, 3-chloro-4-[(4-chlorophenyl)amino]-1-(2-phenylethyl)azoline-2,5-dione, 3-chloro-4-[(4-chlorophenyl)amino]-1-(2-phenylethyl)-1H-pyrrole-2,5-dione
| Molecular Formula | C18H14Cl2N2O2 |
| Molecular Weight | 360.04324 g/mol |
| XLogP | 4.7 |
| Topological Polar Surface Area (TPSA) | 49.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 360.04324 Da |
| Heavy Atoms | 24 |
| Complexity | 521.0 |
| SMILES | C1=CC=C(C=C1)CCN2C(=O)C(=C(C2=O)Cl)NC3=CC=C(C=C3)Cl |
| InChIKey | BWJCLUYDVMATFH-UHFFFAOYSA-N |
The XLogP value of 4.7 indicates that 3-chloro-4-[(4-chlorophenyl)amino]-1-(2-phenylethyl)-1H-pyrrole-2,5-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.4 Ų, 3-chloro-4-[(4-chlorophenyl)amino]-1-(2-phenylethyl)-1H-pyrrole-2,5-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-chloro-4-[(4-chlorophenyl)amino]-1-(2-phenylethyl)-1H-pyrrole-2,5-dione has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3-chloro-4-[(4-chlorophenyl)amino]-1-(2-phenylethyl)-1H-pyrrole-2,5-dione is 459419-51-3.
The molecular formula of 3-chloro-4-[(4-chlorophenyl)amino]-1-(2-phenylethyl)-1H-pyrrole-2,5-dione is C18H14Cl2N2O2.
The molecular weight of 3-chloro-4-[(4-chlorophenyl)amino]-1-(2-phenylethyl)-1H-pyrrole-2,5-dione is 360.04324 g/mol.
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