TL;DR: Benzamide, 2-chloro-N-(((4-((5-chloro-2-pyrimidinyl)oxy)-3-nitrophenyl)amino)carbonyl)- (CAS 103829-02-3) is a chemical compound with molecular formula C18H11Cl2N5O5 and molecular weight 447.01373 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-chloro-N-[[4-(5-chloropyrimidin-2-yl)oxy-3-nitrophenyl]carbamoyl]benzamide
Also Known As: Benzamide, 2-chloro-N-(((4-((5-chloro-2-pyrimidinyl)oxy)-3-nitrophenyl)amino)carbonyl)-, N-(2-Chlorobenzoyl)-N'-(4-(5-chloro-2-pyrimidinyloxy)-3-nitrophenyl)urea, 2-Chloro-N-(((4-((5-chloro-2-pyrimidinyl)oxy)-3-nitrophenyl)amino)carbonyl)benzamide, 2-Chloro-N-({4-[(5-chloro-2-pyrimidinyl)oxy]-3-nitrophenyl}carbamoyl)benzamide, Benzamide,2-chloro-N-[[[4-[(5-chloro-2-pyrimidinyl)oxy]-3-nitrophenyl]amino]carbonyl]-
| Molecular Formula | C18H11Cl2N5O5 |
| Molecular Weight | 447.01373 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 139.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 447.01373 Da |
| Heavy Atoms | 30 |
| Complexity | 629.0 |
| SMILES | C1=CC=C(C(=C1)C(=O)NC(=O)NC2=CC(=C(C=C2)OC3=NC=C(C=N3)Cl)[N+](=O)[O-])Cl |
| InChIKey | BCDPQGXLUZMBHS-UHFFFAOYSA-N |
The XLogP value of 4.1 indicates that Benzamide, 2-chloro-N-(((4-((5-chloro-2-pyrimidinyl)oxy)-3-nitrophenyl)amino)carbonyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 139.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzamide, 2-chloro-N-(((4-((5-chloro-2-pyrimidinyl)oxy)-3-nitrophenyl)amino)carbonyl)-. Following Lipinski's Rule of Five, Benzamide, 2-chloro-N-(((4-((5-chloro-2-pyrimidinyl)oxy)-3-nitrophenyl)amino)carbonyl)- 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, 2-chloro-N-(((4-((5-chloro-2-pyrimidinyl)oxy)-3-nitrophenyl)amino)carbonyl)- is 103829-02-3.
The molecular formula of Benzamide, 2-chloro-N-(((4-((5-chloro-2-pyrimidinyl)oxy)-3-nitrophenyl)amino)carbonyl)- is C18H11Cl2N5O5.
The molecular weight of Benzamide, 2-chloro-N-(((4-((5-chloro-2-pyrimidinyl)oxy)-3-nitrophenyl)amino)carbonyl)- is 447.01373 g/mol.
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