N-(2-Chloro-5-nitrophenyl)-4,4-dimethyl-3-oxopentanamide
TL;DR: N-(2-Chloro-5-nitrophenyl)-4,4-dimethyl-3-oxopentanamide (CAS 63163-96-2) is a chemical compound with molecular formula C13H15ClN2O4 and molecular weight 298.07202 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(2-chloro-5-nitrophenyl)-4,4-dimethyl-3-oxopentanamide
Also Known As: N-(2-chloro-5-nitrophenyl)-4,4-dimethyl-3-oxopentanamide, Pentanamide,4-dimethyl-3-oxo-, Pentanamide, N-(2-chloro-5-nitrophenyl)-4,4-dimethyl-3-oxo-, N- -4,4-dimethyl-3-oxovaleramide, N-(2-Chloro-5-nitrophenyl)-4,4-dimethyl-3-oxovaleramide
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C13H15ClN2O4 |
| Molecular Weight | 298.07202 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 92.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 298.07202 Da |
| Heavy Atoms | 20 |
| Complexity | 400.0 |
| SMILES | CC(C)(C)C(=O)CC(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])Cl |
| InChIKey | HJVPUVSOKRKPPC-UHFFFAOYSA-N |
Chemical Property Profile of N-(2-Chloro-5-nitrophenyl)-4,4-dimethyl-3-oxopentanamide
Property Insights of N-(2-Chloro-5-nitrophenyl)-4,4-dimethyl-3-oxopentanamide
The XLogP value of 3.2 indicates that N-(2-Chloro-5-nitrophenyl)-4,4-dimethyl-3-oxopentanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-Chloro-5-nitrophenyl)-4,4-dimethyl-3-oxopentanamide. Following Lipinski's Rule of Five, N-(2-Chloro-5-nitrophenyl)-4,4-dimethyl-3-oxopentanamide has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of N-(2-Chloro-5-nitrophenyl)-4,4-dimethyl-3-oxopentanamide?
The CAS number of N-(2-Chloro-5-nitrophenyl)-4,4-dimethyl-3-oxopentanamide is 63163-96-2.
What is the molecular formula of N-(2-Chloro-5-nitrophenyl)-4,4-dimethyl-3-oxopentanamide?
The molecular formula of N-(2-Chloro-5-nitrophenyl)-4,4-dimethyl-3-oxopentanamide is C13H15ClN2O4.
What is the molecular weight of N-(2-Chloro-5-nitrophenyl)-4,4-dimethyl-3-oxopentanamide?
The molecular weight of N-(2-Chloro-5-nitrophenyl)-4,4-dimethyl-3-oxopentanamide is 298.07202 g/mol.
Where can I buy N-(2-Chloro-5-nitrophenyl)-4,4-dimethyl-3-oxopentanamide?
You can request a quote for N-(2-Chloro-5-nitrophenyl)-4,4-dimethyl-3-oxopentanamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-(2-Chloro-5-nitrophenyl)-4,4-dimethyl-3-oxopentanamide?
Yes, CoreyChem provides custom synthesis services for N-(2-Chloro-5-nitrophenyl)-4,4-dimethyl-3-oxopentanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.