TL;DR: Acetamide, 2-(4-chloro-3-pentadecylphenoxy)-N-(2,5-dimethyl-1H-pyrrol-1-yl)- (CAS 117554-52-6) is a chemical compound with molecular formula C29H45ClN2O2 and molecular weight 488.31696 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(4-chloro-3-pentadecylphenoxy)-N-(2,5-dimethylpyrrol-1-yl)acetamide
Also Known As: Acetamide, 2-(4-chloro-3-pentadecylphenoxy)-N-(2,5-dimethyl-1H-pyrrol-1-yl)-, 2-(4-Chloro-3-pentadecylphenoxy)-N-(2,5-dimethyl-1H-pyrrol-1-yl)acetamide, 2-(4-chloro-3-pentadecylphenoxy)-N-(2,5-dimethylpyrrol-1-yl)acetamide, BRN 5160607
| Molecular Formula | C29H45ClN2O2 |
| Molecular Weight | 488.31696 g/mol |
| XLogP | 11.2 |
| Topological Polar Surface Area (TPSA) | 43.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 18 |
| Exact Mass | 488.31696 Da |
| Heavy Atoms | 34 |
| Complexity | 522.0 |
| SMILES | CCCCCCCCCCCCCCCC1=C(C=CC(=C1)OCC(=O)NN2C(=CC=C2C)C)Cl |
| InChIKey | UCYFFECFOJSINL-UHFFFAOYSA-N |
The XLogP value of 11.2 indicates that Acetamide, 2-(4-chloro-3-pentadecylphenoxy)-N-(2,5-dimethyl-1H-pyrrol-1-yl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.3 Ų, Acetamide, 2-(4-chloro-3-pentadecylphenoxy)-N-(2,5-dimethyl-1H-pyrrol-1-yl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetamide, 2-(4-chloro-3-pentadecylphenoxy)-N-(2,5-dimethyl-1H-pyrrol-1-yl)- has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Acetamide, 2-(4-chloro-3-pentadecylphenoxy)-N-(2,5-dimethyl-1H-pyrrol-1-yl)- is 117554-52-6.
The molecular formula of Acetamide, 2-(4-chloro-3-pentadecylphenoxy)-N-(2,5-dimethyl-1H-pyrrol-1-yl)- is C29H45ClN2O2.
The molecular weight of Acetamide, 2-(4-chloro-3-pentadecylphenoxy)-N-(2,5-dimethyl-1H-pyrrol-1-yl)- is 488.31696 g/mol.
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