3-methyl-4-nitro-N-phenethylbenzamide
TL;DR: 3-methyl-4-nitro-N-phenethylbenzamide (CAS 333350-55-3) is a chemical compound with molecular formula C16H16N2O3 and molecular weight 284.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-4-nitro-N-(2-phenylethyl)benzamide
Also Known As: 3-methyl-4-nitro-N-phenethylbenzamide, 3-Methyl-4-nitro-N-phenethyl-benzamide, 3-methyl-4-nitro-N-(2-phenylethyl)benzamide, BAS 04086901, (3-methyl-4-nitrophenyl)-N-(2-phenylethyl)carboxamide
| Molecular Formula | C16H16N2O3 |
|---|---|
| Molecular Weight | 284.12 g/mol |
| LogP | 2.87572 |
| Topological Polar Surface Area | 72.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 284.1161 |
| Heavy Atoms | 21 |
| Complexity | 653.8266 |
Chemical Identifiers
| CAS Number | 333350-55-3 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)C(=O)NCCC2=CC=CC=C2)[N+](=O)[O-] |
Product Overview
3-methyl-4-nitro-N-phenethylbenzamide (CAS 333350-55-3), with molecular formula C16H16N2O3 and molecular weight 284.12 g/mol. IUPAC: 3-methyl-4-nitro-N-(2-phenylethyl)benzamide.
Chemical Property Profile of 3-methyl-4-nitro-N-phenethylbenzamide
Property Insights of 3-methyl-4-nitro-N-phenethylbenzamide
The XLogP value of 2.87572 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-methyl-4-nitro-N-phenethylbenzamide. The TPSA of 72.24 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-methyl-4-nitro-N-phenethylbenzamide. Following Lipinski's Rule of Five, 3-methyl-4-nitro-N-phenethylbenzamide has 1 hydrogen bond donor(s) and 3 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 3-methyl-4-nitro-N-phenethylbenzamide?
The CAS number of 3-methyl-4-nitro-N-phenethylbenzamide is 333350-55-3.
What is the molecular formula of 3-methyl-4-nitro-N-phenethylbenzamide?
The molecular formula of 3-methyl-4-nitro-N-phenethylbenzamide is C16H16N2O3.
What is the molecular weight of 3-methyl-4-nitro-N-phenethylbenzamide?
The molecular weight of 3-methyl-4-nitro-N-phenethylbenzamide is 284.12 g/mol.
Where can I buy 3-methyl-4-nitro-N-phenethylbenzamide?
You can request a quote for 3-methyl-4-nitro-N-phenethylbenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-methyl-4-nitro-N-phenethylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for 3-methyl-4-nitro-N-phenethylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.