TL;DR: 2-{[2-(4-Chlorophenyl)ethyl]amino}-2-oxoethyl 3-chlorobenzoate (CAS 1001945-71-6) is a chemical compound with molecular formula C17H15Cl2NO3 and molecular weight 351.0429 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 3-chlorobenzoate
Also Known As: {[2-(4-chlorophenyl)ethyl]carbamoyl}methyl 3-chlorobenzoate, [2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 3-chlorobenzoate, 2-{[2-(4-chlorophenyl)ethyl]amino}-2-oxoethyl 3-chlorobenzoate, F6609-3628, 2-((4-chlorophenethyl)amino)-2-oxoethyl 3-chlorobenzoate
| Molecular Formula | C17H15Cl2NO3 |
| Molecular Weight | 351.0429 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 351.0429 Da |
| Heavy Atoms | 23 |
| Complexity | 397.0 |
| SMILES | C1=CC(=CC(=C1)Cl)C(=O)OCC(=O)NCCC2=CC=C(C=C2)Cl |
| InChIKey | SEYYARNZRNKHJA-UHFFFAOYSA-N |
The XLogP value of 4.1 indicates that 2-{[2-(4-Chlorophenyl)ethyl]amino}-2-oxoethyl 3-chlorobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, 2-{[2-(4-Chlorophenyl)ethyl]amino}-2-oxoethyl 3-chlorobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-{[2-(4-Chlorophenyl)ethyl]amino}-2-oxoethyl 3-chlorobenzoate 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 2-{[2-(4-Chlorophenyl)ethyl]amino}-2-oxoethyl 3-chlorobenzoate is 1001945-71-6.
The molecular formula of 2-{[2-(4-Chlorophenyl)ethyl]amino}-2-oxoethyl 3-chlorobenzoate is C17H15Cl2NO3.
The molecular weight of 2-{[2-(4-Chlorophenyl)ethyl]amino}-2-oxoethyl 3-chlorobenzoate is 351.0429 g/mol.
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