TL;DR: 2-[(3-Fluoro-4-methylphenyl)amino]-2-oxoethyl (3-methoxyphenyl)acetate (CAS 1003540-40-6) is a chemical compound with molecular formula C18H18FNO4 and molecular weight 331.12198 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate
Also Known As: [2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate|2-[(3-fluoro-4-methylphenyl)amino]-2-oxoethyl (3-methoxyphenyl)acetate|F6609-3307|[(3-fluoro-4-methylphenyl)carbamoyl]methyl 2-(3-methoxyphenyl)acetate|2-((3-fluoro-4-methylphenyl)amino)-2-oxoethyl 2-(3-methoxyphenyl)acetate|STL168932
| Molecular Formula | C18H18FNO4 |
| Molecular Weight | 331.12198 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 64.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 331.12198 Da |
| Heavy Atoms | 24 |
| Complexity | 431.0 |
| SMILES | CC1=C(C=C(C=C1)NC(=O)COC(=O)CC2=CC(=CC=C2)OC)F |
| InChIKey | SPPUFRIFROIQIT-UHFFFAOYSA-N |
The XLogP value of 3.1 indicates that 2-[(3-Fluoro-4-methylphenyl)amino]-2-oxoethyl (3-methoxyphenyl)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(3-Fluoro-4-methylphenyl)amino]-2-oxoethyl (3-methoxyphenyl)acetate. Following Lipinski's Rule of Five, 2-[(3-Fluoro-4-methylphenyl)amino]-2-oxoethyl (3-methoxyphenyl)acetate has 1 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-[(3-Fluoro-4-methylphenyl)amino]-2-oxoethyl (3-methoxyphenyl)acetate is 1003540-40-6.
The molecular formula of 2-[(3-Fluoro-4-methylphenyl)amino]-2-oxoethyl (3-methoxyphenyl)acetate is C18H18FNO4.
The molecular weight of 2-[(3-Fluoro-4-methylphenyl)amino]-2-oxoethyl (3-methoxyphenyl)acetate is 331.12198 g/mol.
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