TL;DR: 2-[4-({1-[(4-chlorophenyl)methyl]-2,5-dioxopyrrolidin-3-yl}amino)phenyl]acetic acid (CAS 1009720-68-6) is a chemical compound with molecular formula C19H17ClN2O4 and molecular weight 372.08768 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[4-[[1-[(4-chlorophenyl)methyl]-2,5-dioxopyrrolidin-3-yl]amino]phenyl]acetic acid
Also Known As: 2-[4-({1-[(4-chlorophenyl)methyl]-2,5-dioxopyrrolidin-3-yl}amino)phenyl]acetic acid, 2-[4-[[1-[(4-chlorophenyl)methyl]-2,5-dioxopyrrolidin-3-yl]amino]phenyl]acetic acid, 2-[4-({1-[(4-chlorophenyl)methyl]-2,5-dioxopyrrolidin-3-yl}amino)phenyl]aceticacid, 2-[4-[[1-[(4-chlorophenyl)methyl]-2,5-dioxo-pyrrolidin-3-yl]amino]phenyl]acetic Acid
| Molecular Formula | C19H17ClN2O4 |
| Molecular Weight | 372.08768 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 86.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 372.08768 Da |
| Heavy Atoms | 26 |
| Complexity | 540.0 |
| SMILES | C1C(C(=O)N(C1=O)CC2=CC=C(C=C2)Cl)NC3=CC=C(C=C3)CC(=O)O |
| InChIKey | DQDOTRUBXUCWCL-UHFFFAOYSA-N |
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[4-({1-[(4-chlorophenyl)methyl]-2,5-dioxopyrrolidin-3-yl}amino)phenyl]acetic acid. The TPSA of 86.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[4-({1-[(4-chlorophenyl)methyl]-2,5-dioxopyrrolidin-3-yl}amino)phenyl]acetic acid. Following Lipinski's Rule of Five, 2-[4-({1-[(4-chlorophenyl)methyl]-2,5-dioxopyrrolidin-3-yl}amino)phenyl]acetic acid 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 2-[4-({1-[(4-chlorophenyl)methyl]-2,5-dioxopyrrolidin-3-yl}amino)phenyl]acetic acid is 1009720-68-6.
The molecular formula of 2-[4-({1-[(4-chlorophenyl)methyl]-2,5-dioxopyrrolidin-3-yl}amino)phenyl]acetic acid is C19H17ClN2O4.
The molecular weight of 2-[4-({1-[(4-chlorophenyl)methyl]-2,5-dioxopyrrolidin-3-yl}amino)phenyl]acetic acid is 372.08768 g/mol.
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