N-benzyl-3-nitrobenzamide
TL;DR: N-benzyl-3-nitrobenzamide (CAS 7595-68-8) is a chemical compound with molecular formula C14H12N2O3 and molecular weight 256.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-3-nitrobenzamide
Also Known As: N-benzyl-3-nitrobenzamide, 3-nitro-N-(phenylmethyl)benzamide, N-phenylmethyl-3-nitrobenzamide, N-BENZYL-3-NITRO-BENZAMIDE, (3-nitrophenyl)-N-benzylcarboxamide
| Molecular Formula | C14H12N2O3 |
|---|---|
| Molecular Weight | 256.08 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 74.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 256.08478 |
| Heavy Atoms | 19 |
| Complexity | 321.0 |
Chemical Identifiers
| CAS Number | 7595-68-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC(=O)C2=CC(=CC=C2)[N+](=O)[O-] |
| InChIKey | XEVAPEULJLQLAA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-benzyl-3-nitrobenzamide (CAS 7595-68-8), with molecular formula C14H12N2O3 and molecular weight 256.08 g/mol. IUPAC: N-benzyl-3-nitrobenzamide.
Chemical Property Profile of N-benzyl-3-nitrobenzamide
Property Insights of N-benzyl-3-nitrobenzamide
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-benzyl-3-nitrobenzamide. The TPSA of 74.9 Ų falls within the moderate polarity range, balancing permeability and solubility for N-benzyl-3-nitrobenzamide. Following Lipinski's Rule of Five, N-benzyl-3-nitrobenzamide 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 N-benzyl-3-nitrobenzamide?
The CAS number of N-benzyl-3-nitrobenzamide is 7595-68-8.
What is the molecular formula of N-benzyl-3-nitrobenzamide?
The molecular formula of N-benzyl-3-nitrobenzamide is C14H12N2O3.
What is the molecular weight of N-benzyl-3-nitrobenzamide?
The molecular weight of N-benzyl-3-nitrobenzamide is 256.08 g/mol.
Where can I buy N-benzyl-3-nitrobenzamide?
You can request a quote for 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 N-benzyl-3-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-benzyl-3-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.