TL;DR: Acetanilide, 2-chloro-N-((diethylcarbamoyl)methyl)- (CAS 106321-35-1) is a chemical compound with molecular formula C14H19ClN2O2 and molecular weight 282.1135 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(N-(2-chloroacetyl)anilino)-N,N-diethylacetamide
Also Known As: 2-(N-(2-chloroacetyl)anilino)-N,N-diethylacetamide, 2-Chloro-N-((diethylcarbamoyl)methyl)acetanilide, ACETANILIDE, 2-CHLORO-N-((DIETHYLCARBAMOYL)METHYL)-, 4-12-00-00876 (Beilstein Handbook Reference), N~2~-(Chloroacetyl)-N,N-diethyl-N~2~-phenylglycinamide
| Molecular Formula | C14H19ClN2O2 |
| Molecular Weight | 282.1135 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 40.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 282.1135 Da |
| Heavy Atoms | 19 |
| Complexity | 300.0 |
| SMILES | CCN(CC)C(=O)CN(C1=CC=CC=C1)C(=O)CCl |
| InChIKey | JYLLMBJNBRRGGA-UHFFFAOYSA-N |
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetanilide, 2-chloro-N-((diethylcarbamoyl)methyl)-. With a topological polar surface area (TPSA) of 40.6 Ų, Acetanilide, 2-chloro-N-((diethylcarbamoyl)methyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetanilide, 2-chloro-N-((diethylcarbamoyl)methyl)- has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Acetanilide, 2-chloro-N-((diethylcarbamoyl)methyl)- is 106321-35-1.
The molecular formula of Acetanilide, 2-chloro-N-((diethylcarbamoyl)methyl)- is C14H19ClN2O2.
The molecular weight of Acetanilide, 2-chloro-N-((diethylcarbamoyl)methyl)- is 282.1135 g/mol.
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