TL;DR: 3-[[1-(3-chlorobenzoyl)piperidin-4-yl]amino]-1-(4-fluorophenyl)pyrrolidine-2,5-dione (CAS 1033588-05-4) is a chemical compound with molecular formula C22H21ClFN3O3 and molecular weight 429.12555 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[[1-(3-chlorobenzoyl)piperidin-4-yl]amino]-1-(4-fluorophenyl)pyrrolidine-2,5-dione
Also Known As: 3-[[1-(3-chlorobenzoyl)piperidin-4-yl]amino]-1-(4-fluorophenyl)pyrrolidine-2,5-dione, 3-({1-[(3-chlorophenyl)carbonyl]piperidin-4-yl}amino)-1-(4-fluorophenyl)pyrrolidine-2,5-dione, 3-{[1-(3-chlorobenzoyl)piperidin-4-yl]amino}-1-(4-fluorophenyl)pyrrolidine-2,5-dione
| Molecular Formula | C22H21ClFN3O3 |
| Molecular Weight | 429.12555 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 69.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 429.12555 Da |
| Heavy Atoms | 30 |
| Complexity | 662.0 |
| SMILES | C1CN(CCC1NC2CC(=O)N(C2=O)C3=CC=C(C=C3)F)C(=O)C4=CC(=CC=C4)Cl |
| InChIKey | CLPRLNIDUQTVOX-UHFFFAOYSA-N |
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[[1-(3-chlorobenzoyl)piperidin-4-yl]amino]-1-(4-fluorophenyl)pyrrolidine-2,5-dione. The TPSA of 69.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[[1-(3-chlorobenzoyl)piperidin-4-yl]amino]-1-(4-fluorophenyl)pyrrolidine-2,5-dione. Following Lipinski's Rule of Five, 3-[[1-(3-chlorobenzoyl)piperidin-4-yl]amino]-1-(4-fluorophenyl)pyrrolidine-2,5-dione 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 3-[[1-(3-chlorobenzoyl)piperidin-4-yl]amino]-1-(4-fluorophenyl)pyrrolidine-2,5-dione is 1033588-05-4.
The molecular formula of 3-[[1-(3-chlorobenzoyl)piperidin-4-yl]amino]-1-(4-fluorophenyl)pyrrolidine-2,5-dione is C22H21ClFN3O3.
The molecular weight of 3-[[1-(3-chlorobenzoyl)piperidin-4-yl]amino]-1-(4-fluorophenyl)pyrrolidine-2,5-dione is 429.12555 g/mol.
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