TL;DR: 2-chloro-N-{2-[(4-nitrophenyl)amino]ethyl}benzamide (CAS 327050-57-7) is a chemical compound with molecular formula C15H14ClN3O3 and molecular weight 319.07236 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-chloro-N-[2-(4-nitroanilino)ethyl]benzamide
Also Known As: 2-chloro-N-{2-[(4-nitrophenyl)amino]ethyl}benzamide, 2-chloro-N-[2-(4-nitroanilino)ethyl]benzamide, BAS 00791276, AB00090485-01, 2-Chloro-N-[2-(4-nitro-phenylamino)-ethyl]-benzamide
| Molecular Formula | C15H14ClN3O3 |
| Molecular Weight | 319.07236 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 87.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 319.07236 Da |
| Heavy Atoms | 22 |
| Complexity | 381.0 |
| SMILES | C1=CC=C(C(=C1)C(=O)NCCNC2=CC=C(C=C2)[N+](=O)[O-])Cl |
| InChIKey | ZWKUZRNZFOXJRA-UHFFFAOYSA-N |
The XLogP value of 3.3 indicates that 2-chloro-N-{2-[(4-nitrophenyl)amino]ethyl}benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-chloro-N-{2-[(4-nitrophenyl)amino]ethyl}benzamide. Following Lipinski's Rule of Five, 2-chloro-N-{2-[(4-nitrophenyl)amino]ethyl}benzamide has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-chloro-N-{2-[(4-nitrophenyl)amino]ethyl}benzamide is 327050-57-7.
The molecular formula of 2-chloro-N-{2-[(4-nitrophenyl)amino]ethyl}benzamide is C15H14ClN3O3.
The molecular weight of 2-chloro-N-{2-[(4-nitrophenyl)amino]ethyl}benzamide is 319.07236 g/mol.
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