TL;DR: 2-(3,4-dichlorophenoxy)-N-(prop-2-yn-1-yl)acetamide (CAS 1088156-38-0) is a chemical compound with molecular formula C11H9Cl2NO2 and molecular weight 257.00104 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(3,4-dichlorophenoxy)-N-prop-2-ynylacetamide
Also Known As: 2-(3,4-dichlorophenoxy)-N-(prop-2-yn-1-yl)acetamide, 2-(3,4-dichlorophenoxy)-N-prop-2-ynylacetamide
| Molecular Formula | C11H9Cl2NO2 |
| Molecular Weight | 257.00104 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 257.00104 Da |
| Heavy Atoms | 16 |
| Complexity | 287.0 |
| SMILES | C#CCNC(=O)COC1=CC(=C(C=C1)Cl)Cl |
| InChIKey | GKFQEENFPLVSHO-UHFFFAOYSA-N |
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3,4-dichlorophenoxy)-N-(prop-2-yn-1-yl)acetamide. With a topological polar surface area (TPSA) of 38.3 Ų, 2-(3,4-dichlorophenoxy)-N-(prop-2-yn-1-yl)acetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3,4-dichlorophenoxy)-N-(prop-2-yn-1-yl)acetamide has 1 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 2-(3,4-dichlorophenoxy)-N-(prop-2-yn-1-yl)acetamide is 1088156-38-0.
The molecular formula of 2-(3,4-dichlorophenoxy)-N-(prop-2-yn-1-yl)acetamide is C11H9Cl2NO2.
The molecular weight of 2-(3,4-dichlorophenoxy)-N-(prop-2-yn-1-yl)acetamide is 257.00104 g/mol.
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