TL;DR: 4-chloro-N-(2-{[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]amino}ethyl)benzamide (CAS 1008706-65-7) is a chemical compound with molecular formula C20H20ClN3O4 and molecular weight 401.11423 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-chloro-N-[2-[[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]amino]ethyl]benzamide
Also Known As: 4-chloro-N-(2-{[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]amino}ethyl)benzamide, 4-chloro-N-[2-[[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]amino]ethyl]benzamide
| Molecular Formula | C20H20ClN3O4 |
| Molecular Weight | 401.11423 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 87.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 401.11423 Da |
| Heavy Atoms | 28 |
| Complexity | 572.0 |
| SMILES | COC1=CC=C(C=C1)N2C(=O)CC(C2=O)NCCNC(=O)C3=CC=C(C=C3)Cl |
| InChIKey | CWRGXIWWEOXZIV-UHFFFAOYSA-N |
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-chloro-N-(2-{[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]amino}ethyl)benzamide. The TPSA of 87.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-chloro-N-(2-{[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]amino}ethyl)benzamide. Following Lipinski's Rule of Five, 4-chloro-N-(2-{[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]amino}ethyl)benzamide has 2 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 4-chloro-N-(2-{[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]amino}ethyl)benzamide is 1008706-65-7.
The molecular formula of 4-chloro-N-(2-{[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]amino}ethyl)benzamide is C20H20ClN3O4.
The molecular weight of 4-chloro-N-(2-{[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]amino}ethyl)benzamide is 401.11423 g/mol.
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