![N-[2-(4-methylanilino)-2-oxoethyl]-4-nitrobenzamide structure](/static/products/5176/51769-56-3.webp)
N-[2-(4-methylanilino)-2-oxoethyl]-4-nitrobenzamide
TL;DR: N-[2-(4-methylanilino)-2-oxoethyl]-4-nitrobenzamide (CAS 51769-56-3) is a chemical compound with molecular formula C16H15N3O4 and molecular weight 313.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(4-methylanilino)-2-oxoethyl]-4-nitrobenzamide
Also Known As: CBKinase1_010647, CBKinase1_023047, N-[2-(4-methylanilino)-2-oxoethyl]-4-nitrobenzamide, BRD-K57965399-001-01-8, N-{2-[(4-methylphenyl)amino]-2-oxoethyl}-4-nitrobenzamide
| Molecular Formula | C16H15N3O4 |
|---|---|
| Molecular Weight | 313.11 g/mol |
| LogP | 2.27172 |
| Topological Polar Surface Area | 101.34 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 313.10626 |
| Heavy Atoms | 23 |
| Complexity | 723.9955 |
Chemical Identifiers
| CAS Number | 51769-56-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(=O)CNC(=O)C2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
N-[2-(4-methylanilino)-2-oxoethyl]-4-nitrobenzamide (CAS 51769-56-3), with molecular formula C16H15N3O4 and molecular weight 313.11 g/mol. IUPAC: N-[2-(4-methylanilino)-2-oxoethyl]-4-nitrobenzamide.
Chemical Property Profile of N-[2-(4-methylanilino)-2-oxoethyl]-4-nitrobenzamide
Property Insights of N-[2-(4-methylanilino)-2-oxoethyl]-4-nitrobenzamide
The XLogP value of 2.27172 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[2-(4-methylanilino)-2-oxoethyl]-4-nitrobenzamide. The TPSA of 101.34 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[2-(4-methylanilino)-2-oxoethyl]-4-nitrobenzamide. Following Lipinski's Rule of Five, N-[2-(4-methylanilino)-2-oxoethyl]-4-nitrobenzamide 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-methylanilino)-2-oxoethyl]-4-nitrobenzamide?
The CAS number of N-[2-(4-methylanilino)-2-oxoethyl]-4-nitrobenzamide is 51769-56-3.
What is the molecular formula of N-[2-(4-methylanilino)-2-oxoethyl]-4-nitrobenzamide?
The molecular formula of N-[2-(4-methylanilino)-2-oxoethyl]-4-nitrobenzamide is C16H15N3O4.
What is the molecular weight of N-[2-(4-methylanilino)-2-oxoethyl]-4-nitrobenzamide?
The molecular weight of N-[2-(4-methylanilino)-2-oxoethyl]-4-nitrobenzamide is 313.11 g/mol.
Where can I buy N-[2-(4-methylanilino)-2-oxoethyl]-4-nitrobenzamide?
You can request a quote for N-[2-(4-methylanilino)-2-oxoethyl]-4-nitrobenzamide 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-methylanilino)-2-oxoethyl]-4-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[2-(4-methylanilino)-2-oxoethyl]-4-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.