N-Ethyl-3'-nitroacetanilide
TL;DR: N-Ethyl-3'-nitroacetanilide (CAS 116496-79-8) is a chemical compound with molecular formula C10H12N2O3 and molecular weight 208.0848 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-ethyl-N-(3-nitrophenyl)acetamide
Also Known As: N-ethyl-N-(3-nitrophenyl)acetamide, N-ETHYL-3'-NITROACETANILIDE, 653-315-6
Technical Specifications
| Molecular Formula | C10H12N2O3 |
| Molecular Weight | 208.0848 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 66.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 208.0848 Da |
| Heavy Atoms | 15 |
| Complexity | 250.0 |
| SMILES | CCN(C1=CC(=CC=C1)[N+](=O)[O-])C(=O)C |
| InChIKey | UWHBFCJMDCMTGD-UHFFFAOYSA-N |
Chemical Property Profile of N-Ethyl-3'-nitroacetanilide
Property Insights of N-Ethyl-3'-nitroacetanilide
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Ethyl-3'-nitroacetanilide. The TPSA of 66.1 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Ethyl-3'-nitroacetanilide. Following Lipinski's Rule of Five, N-Ethyl-3'-nitroacetanilide has 0 hydrogen bond donor(s) and 3 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-Ethyl-3'-nitroacetanilide?
The CAS number of N-Ethyl-3'-nitroacetanilide is 116496-79-8.
What is the molecular formula of N-Ethyl-3'-nitroacetanilide?
The molecular formula of N-Ethyl-3'-nitroacetanilide is C10H12N2O3.
What is the molecular weight of N-Ethyl-3'-nitroacetanilide?
The molecular weight of N-Ethyl-3'-nitroacetanilide is 208.0848 g/mol.
Where can I buy N-Ethyl-3'-nitroacetanilide?
You can request a quote for N-Ethyl-3'-nitroacetanilide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-Ethyl-3'-nitroacetanilide?
Yes, CoreyChem provides custom synthesis services for N-Ethyl-3'-nitroacetanilide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.