TL;DR: N-(2,5-Dimethyl-1H-pyrrol-1-yl)-2-(2,4,6-trichloro-3-pentadecylphenoxy)propanamide (CAS 111253-92-0) is a chemical compound with molecular formula C30H45Cl3N2O2 and molecular weight 570.25464 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(2,5-dimethylpyrrol-1-yl)-2-(2,4,6-trichloro-3-pentadecylphenoxy)propanamide
Also Known As: N-(2,5-Dimethyl-1H-pyrrol-1-yl)-2-(2,4,6-trichloro-3-pentadecylphenoxy)propanamide, N-(2,5-dimethylpyrrol-1-yl)-2-(2,4,6-trichloro-3-pentadecylphenoxy)propanamide, Propanamide, N-(2,5-dimethyl-1H-pyrrol-1-yl)-2-(2,4,6-trichloro-3-pentadecylphenoxy)-, Propanamide, N-(2,5-dimethyl-1H-pyrrol-1-yl)-2-(2,4,6-trichloro-3-pent adecylphenoxy)-, N-(2,5-Dimethyl-1H-pyrrol-1-yl)-2-(2,4,6-trichloro-3-pentadecylphenoxy)propanimidic acid
| Molecular Formula | C30H45Cl3N2O2 |
| Molecular Weight | 570.25464 g/mol |
| XLogP | 12.9 |
| Topological Polar Surface Area (TPSA) | 43.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 18 |
| Exact Mass | 570.25464 Da |
| Heavy Atoms | 37 |
| Complexity | 616.0 |
| SMILES | CCCCCCCCCCCCCCCC1=C(C(=C(C=C1Cl)Cl)OC(C)C(=O)NN2C(=CC=C2C)C)Cl |
| InChIKey | SSJJQHCVCPBZCW-UHFFFAOYSA-N |
The XLogP value of 12.9 indicates that N-(2,5-Dimethyl-1H-pyrrol-1-yl)-2-(2,4,6-trichloro-3-pentadecylphenoxy)propanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.3 Ų, N-(2,5-Dimethyl-1H-pyrrol-1-yl)-2-(2,4,6-trichloro-3-pentadecylphenoxy)propanamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(2,5-Dimethyl-1H-pyrrol-1-yl)-2-(2,4,6-trichloro-3-pentadecylphenoxy)propanamide has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of N-(2,5-Dimethyl-1H-pyrrol-1-yl)-2-(2,4,6-trichloro-3-pentadecylphenoxy)propanamide is 111253-92-0.
The molecular formula of N-(2,5-Dimethyl-1H-pyrrol-1-yl)-2-(2,4,6-trichloro-3-pentadecylphenoxy)propanamide is C30H45Cl3N2O2.
The molecular weight of N-(2,5-Dimethyl-1H-pyrrol-1-yl)-2-(2,4,6-trichloro-3-pentadecylphenoxy)propanamide is 570.25464 g/mol.
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