TL;DR: 2-[(2-Fluorophenyl)amino]-2-oxoethyl (2-chlorophenyl)acetate (CAS 1638737-39-9) is a chemical compound with molecular formula C16H13ClFNO3 and molecular weight 321.0568 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2-(2-fluoroanilino)-2-oxoethyl] 2-(2-chlorophenyl)acetate
Also Known As: 2-[(2-fluorophenyl)amino]-2-oxoethyl (2-chlorophenyl)acetate, [2-(2-fluoroanilino)-2-oxoethyl] 2-(2-chlorophenyl)acetate
| Molecular Formula | C16H13ClFNO3 |
| Molecular Weight | 321.0568 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 321.0568 Da |
| Heavy Atoms | 22 |
| Complexity | 394.0 |
| SMILES | C1=CC=C(C(=C1)CC(=O)OCC(=O)NC2=CC=CC=C2F)Cl |
| InChIKey | ZBMSGSCYTPCHRP-UHFFFAOYSA-N |
The XLogP value of 3.3 indicates that 2-[(2-Fluorophenyl)amino]-2-oxoethyl (2-chlorophenyl)acetate 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-Fluorophenyl)amino]-2-oxoethyl (2-chlorophenyl)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(2-Fluorophenyl)amino]-2-oxoethyl (2-chlorophenyl)acetate has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-[(2-Fluorophenyl)amino]-2-oxoethyl (2-chlorophenyl)acetate is 1638737-39-9.
The molecular formula of 2-[(2-Fluorophenyl)amino]-2-oxoethyl (2-chlorophenyl)acetate is C16H13ClFNO3.
The molecular weight of 2-[(2-Fluorophenyl)amino]-2-oxoethyl (2-chlorophenyl)acetate is 321.0568 g/mol.
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