4-Acetamido-N-benzyl-3-nitrobenzamide
TL;DR: 4-Acetamido-N-benzyl-3-nitrobenzamide (CAS 92968-87-1) 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.
4-acetamido-N-benzyl-3-nitrobenzamide
Also Known As: 4-Acetamido-N-benzyl-3-nitrobenzamide, 4- -N-benzyl-3-nitrobenzamide, 2'-Nitro-4'-benzylcarbamoylacetanilid, 4-(Acetylamino)-N-benzyl-3-nitrobenzamide, N-Benzyl-4-(acetylamino)-3-nitrobenzamide
| Molecular Formula | C16H15N3O4 |
|---|---|
| Molecular Weight | 313.11 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 313.10626 |
| Heavy Atoms | 23 |
| Complexity | 443.0 |
Chemical Identifiers
| CAS Number | 92968-87-1 |
|---|---|
| SMILES | CC(=O)NC1=C(C=C(C=C1)C(=O)NCC2=CC=CC=C2)[N+](=O)[O-] |
| InChIKey | XXSUNXIUBAZROD-UHFFFAOYSA-N |
Product Overview
4-Acetamido-N-benzyl-3-nitrobenzamide (CAS 92968-87-1), with molecular formula C16H15N3O4 and molecular weight 313.11 g/mol. IUPAC: 4-acetamido-N-benzyl-3-nitrobenzamide.
Chemical Property Profile of 4-Acetamido-N-benzyl-3-nitrobenzamide
Property Insights of 4-Acetamido-N-benzyl-3-nitrobenzamide
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Acetamido-N-benzyl-3-nitrobenzamide. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Acetamido-N-benzyl-3-nitrobenzamide. Following Lipinski's Rule of Five, 4-Acetamido-N-benzyl-3-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 4-Acetamido-N-benzyl-3-nitrobenzamide?
The CAS number of 4-Acetamido-N-benzyl-3-nitrobenzamide is 92968-87-1.
What is the molecular formula of 4-Acetamido-N-benzyl-3-nitrobenzamide?
The molecular formula of 4-Acetamido-N-benzyl-3-nitrobenzamide is C16H15N3O4.
What is the molecular weight of 4-Acetamido-N-benzyl-3-nitrobenzamide?
The molecular weight of 4-Acetamido-N-benzyl-3-nitrobenzamide is 313.11 g/mol.
Where can I buy 4-Acetamido-N-benzyl-3-nitrobenzamide?
You can request a quote for 4-Acetamido-N-benzyl-3-nitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Acetamido-N-benzyl-3-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-Acetamido-N-benzyl-3-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.