TL;DR: Propanamide, 2-(4-chloro-3-methylphenoxy)-N-(2,5-dimethyl-1H-pyrrol-1-yl)- (CAS 111253-93-1) is a chemical compound with molecular formula C16H19ClN2O2 and molecular weight 306.1135 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(4-chloro-3-methylphenoxy)-N-(2,5-dimethylpyrrol-1-yl)propanamide
Also Known As: 2-(4-Chloro-3-methylphenoxy)-N-(2,5-dimethyl-1H-pyrrol-1-yl)propanamide, 2-(4-chloro-3-methylphenoxy)-N-(2,5-dimethylpyrrol-1-yl)propanamide, Propanamide, 2-(4-chloro-3-methylphenoxy)-N-(2,5-dimethyl-1H-pyrrol-1-yl)-, Propanamide,2-(4-chloro-3-methylphenoxy)-N-(2,5-dimethyl-1H-pyrrol-1-yl)-, 2-(4-CHLORO-3-METHYL-PHENOXY)-N-(2,5-DIMETHYLPYRROL-1-YL)PROPANAMIDE
| Molecular Formula | C16H19ClN2O2 |
| Molecular Weight | 306.1135 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 43.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 306.1135 Da |
| Heavy Atoms | 21 |
| Complexity | 356.0 |
| SMILES | CC1=CC=C(N1NC(=O)C(C)OC2=CC(=C(C=C2)Cl)C)C |
| InChIKey | JPUSISGQAIFBGY-UHFFFAOYSA-N |
The XLogP value of 4.2 indicates that Propanamide, 2-(4-chloro-3-methylphenoxy)-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, Propanamide, 2-(4-chloro-3-methylphenoxy)-N-(2,5-dimethyl-1H-pyrrol-1-yl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propanamide, 2-(4-chloro-3-methylphenoxy)-N-(2,5-dimethyl-1H-pyrrol-1-yl)- 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 Propanamide, 2-(4-chloro-3-methylphenoxy)-N-(2,5-dimethyl-1H-pyrrol-1-yl)- is 111253-93-1.
The molecular formula of Propanamide, 2-(4-chloro-3-methylphenoxy)-N-(2,5-dimethyl-1H-pyrrol-1-yl)- is C16H19ClN2O2.
The molecular weight of Propanamide, 2-(4-chloro-3-methylphenoxy)-N-(2,5-dimethyl-1H-pyrrol-1-yl)- is 306.1135 g/mol.
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