![N-{2-[(4-chloro-2-nitrophenyl)amino]ethyl}-4-methylbenzamide structure](/static/products/333/333398-31-5.png)
N-{2-[(4-chloro-2-nitrophenyl)amino]ethyl}-4-methylbenzamide
TL;DR: N-{2-[(4-chloro-2-nitrophenyl)amino]ethyl}-4-methylbenzamide (CAS 333398-31-5) is a chemical compound with molecular formula C16H16ClN3O3 and molecular weight 333.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(4-chloro-2-nitroanilino)ethyl]-4-methylbenzamide
Also Known As: BAS 00485064, N-[2-(4-chloro-2-nitroanilino)ethyl]-4-methylbenzamide, N-{2-[(4-chloro-2-nitrophenyl)amino]ethyl}-4-methylbenzamide, A1339/0060448, N-[2-(4-Chloro-2-nitro-phenylamino)-ethyl]-4-methyl-benzamide
| Molecular Formula | C16H16ClN3O3 |
|---|---|
| Molecular Weight | 333.09 g/mol |
| LogP | 3.39852 |
| Topological Polar Surface Area | 84.27 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 333.088 |
| Heavy Atoms | 23 |
| Complexity | 717.01044 |
Chemical Identifiers
| CAS Number | 333398-31-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)NCCNC2=C(C=C(C=C2)Cl)[N+](=O)[O-] |
Product Overview
N-{2-[(4-chloro-2-nitrophenyl)amino]ethyl}-4-methylbenzamide (CAS 333398-31-5), with molecular formula C16H16ClN3O3 and molecular weight 333.09 g/mol. IUPAC: N-[2-(4-chloro-2-nitroanilino)ethyl]-4-methylbenzamide.
Chemical Property Profile of N-{2-[(4-chloro-2-nitrophenyl)amino]ethyl}-4-methylbenzamide
Property Insights of N-{2-[(4-chloro-2-nitrophenyl)amino]ethyl}-4-methylbenzamide
The XLogP value of 3.39852 indicates that N-{2-[(4-chloro-2-nitrophenyl)amino]ethyl}-4-methylbenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.27 Ų falls within the moderate polarity range, balancing permeability and solubility for N-{2-[(4-chloro-2-nitrophenyl)amino]ethyl}-4-methylbenzamide. Following Lipinski's Rule of Five, N-{2-[(4-chloro-2-nitrophenyl)amino]ethyl}-4-methylbenzamide has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-{2-[(4-chloro-2-nitrophenyl)amino]ethyl}-4-methylbenzamide?
The CAS number of N-{2-[(4-chloro-2-nitrophenyl)amino]ethyl}-4-methylbenzamide is 333398-31-5.
What is the molecular formula of N-{2-[(4-chloro-2-nitrophenyl)amino]ethyl}-4-methylbenzamide?
The molecular formula of N-{2-[(4-chloro-2-nitrophenyl)amino]ethyl}-4-methylbenzamide is C16H16ClN3O3.
What is the molecular weight of N-{2-[(4-chloro-2-nitrophenyl)amino]ethyl}-4-methylbenzamide?
The molecular weight of N-{2-[(4-chloro-2-nitrophenyl)amino]ethyl}-4-methylbenzamide is 333.09 g/mol.
Where can I buy N-{2-[(4-chloro-2-nitrophenyl)amino]ethyl}-4-methylbenzamide?
You can request a quote for N-{2-[(4-chloro-2-nitrophenyl)amino]ethyl}-4-methylbenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-{2-[(4-chloro-2-nitrophenyl)amino]ethyl}-4-methylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-{2-[(4-chloro-2-nitrophenyl)amino]ethyl}-4-methylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.