TL;DR: [2-[2-(4-Chlorophenyl)ethylamino]-2-oxoethyl] benzoate (CAS 1002280-01-4) is a chemical compound with molecular formula C17H16ClNO3 and molecular weight 317.08188 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] benzoate
Also Known As: 2-((4-chlorophenethyl)amino)-2-oxoethyl benzoate, [2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] benzoate, {[2-(4-CHLOROPHENYL)ETHYL]CARBAMOYL}METHYL BENZOATE, 2-{[2-(4-chlorophenyl)ethyl]amino}-2-oxoethyl benzoate, F6609-3560
| Molecular Formula | C17H16ClNO3 |
| Molecular Weight | 317.08188 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 317.08188 Da |
| Heavy Atoms | 22 |
| Complexity | 361.0 |
| SMILES | C1=CC=C(C=C1)C(=O)OCC(=O)NCCC2=CC=C(C=C2)Cl |
| InChIKey | REYBVHPGVQQKNK-UHFFFAOYSA-N |
The XLogP value of 3.5 indicates that [2-[2-(4-Chlorophenyl)ethylamino]-2-oxoethyl] benzoate 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)ethylamino]-2-oxoethyl] benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [2-[2-(4-Chlorophenyl)ethylamino]-2-oxoethyl] benzoate 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)ethylamino]-2-oxoethyl] benzoate is 1002280-01-4.
The molecular formula of [2-[2-(4-Chlorophenyl)ethylamino]-2-oxoethyl] benzoate is C17H16ClNO3.
The molecular weight of [2-[2-(4-Chlorophenyl)ethylamino]-2-oxoethyl] benzoate is 317.08188 g/mol.
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