TL;DR: n-(2-Iodoethyl)-3,4-dimethylbenzamide (CAS 15257-85-9) is a chemical compound with molecular formula C11H14INO and molecular weight 303.01202 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(2-iodoethyl)-3,4-dimethylbenzamide
Also Known As: n-(2-iodoethyl)-3,4-dimethylbenzamide, Benzamide, N-(2-iodoethyl)-3,4-dimethyl-, Benzamide,N-(2-iodoethyl)-3,4-dimethyl
| Molecular Formula | C11H14INO |
| Molecular Weight | 303.01202 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 303.01202 Da |
| Heavy Atoms | 14 |
| Complexity | 196.0 |
| SMILES | CC1=C(C=C(C=C1)C(=O)NCCI)C |
| InChIKey | MVWGQZNQTAVTQH-UHFFFAOYSA-N |
The XLogP value of 3.0 indicates that n-(2-Iodoethyl)-3,4-dimethylbenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.1 Ų, n-(2-Iodoethyl)-3,4-dimethylbenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, n-(2-Iodoethyl)-3,4-dimethylbenzamide has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of n-(2-Iodoethyl)-3,4-dimethylbenzamide is 15257-85-9.
The molecular formula of n-(2-Iodoethyl)-3,4-dimethylbenzamide is C11H14INO.
The molecular weight of n-(2-Iodoethyl)-3,4-dimethylbenzamide is 303.01202 g/mol.
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