TL;DR: Benzamide, 5-(p-((2-chloroethyl)ethylamino)anilino)-2,4-dinitro- (CAS 33084-37-6) is a chemical compound with molecular formula C17H18ClN5O5 and molecular weight 407.09964 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-[4-[2-chloroethyl(ethyl)amino]anilino]-2,4-dinitrobenzamide
Also Known As: 5-(p-((2-Chloroethyl)ethylamino)anilino)-2,4-dinitrobenzamide, BENZAMIDE, 5-(p-((2-CHLOROETHYL)ETHYLAMINO)ANILINO)-2,4-DINITRO-, 5-[4-[2-chloroethyl(ethyl)amino]anilino]-2,4-dinitrobenzamide, 5-{4-[(2-Chloroethyl)(ethyl)amino]anilino}-2,4-dinitrobenzamide
| Molecular Formula | C17H18ClN5O5 |
| Molecular Weight | 407.09964 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 150.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 407.09964 Da |
| Heavy Atoms | 28 |
| Complexity | 561.0 |
| SMILES | CCN(CCCl)C1=CC=C(C=C1)NC2=C(C=C(C(=C2)C(=O)N)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | HMZZMBXJUXCVSL-UHFFFAOYSA-N |
The XLogP value of 3.6 indicates that Benzamide, 5-(p-((2-chloroethyl)ethylamino)anilino)-2,4-dinitro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 150.0 Ų indicates high polarity, suggesting Benzamide, 5-(p-((2-chloroethyl)ethylamino)anilino)-2,4-dinitro- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Benzamide, 5-(p-((2-chloroethyl)ethylamino)anilino)-2,4-dinitro- has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Benzamide, 5-(p-((2-chloroethyl)ethylamino)anilino)-2,4-dinitro- is 33084-37-6.
The molecular formula of Benzamide, 5-(p-((2-chloroethyl)ethylamino)anilino)-2,4-dinitro- is C17H18ClN5O5.
The molecular weight of Benzamide, 5-(p-((2-chloroethyl)ethylamino)anilino)-2,4-dinitro- is 407.09964 g/mol.
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