N-(3-cyanophenyl)-3-nitrobenzamide
TL;DR: N-(3-cyanophenyl)-3-nitrobenzamide (CAS 314766-61-5) is a chemical compound with molecular formula C14H9N3O3 and molecular weight 267.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-cyanophenyl)-3-nitrobenzamide
Also Known As: N-(3-cyanophenyl)-3-nitrobenzamide, N-(3-Cyano-phenyl)-3-nitro-benzamide, BAS 01109894, N-(3-cyanophenyl)(3-nitrophenyl)carboxamide, J3.605.992C
| Molecular Formula | C14H9N3O3 |
|---|---|
| Molecular Weight | 267.06 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 98.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 267.0644 |
| Heavy Atoms | 20 |
| Complexity | 423.0 |
Chemical Identifiers
| CAS Number | 314766-61-5 |
|---|---|
| SMILES | C1=CC(=CC(=C1)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C#N |
| InChIKey | GUTSPDJJXFMPBK-UHFFFAOYSA-N |
Product Overview
N-(3-cyanophenyl)-3-nitrobenzamide (CAS 314766-61-5), with molecular formula C14H9N3O3 and molecular weight 267.06 g/mol. IUPAC: N-(3-cyanophenyl)-3-nitrobenzamide.
Chemical Property Profile of N-(3-cyanophenyl)-3-nitrobenzamide
Property Insights of N-(3-cyanophenyl)-3-nitrobenzamide
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(3-cyanophenyl)-3-nitrobenzamide. The TPSA of 98.7 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-cyanophenyl)-3-nitrobenzamide. Following Lipinski's Rule of Five, N-(3-cyanophenyl)-3-nitrobenzamide has 1 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-(3-cyanophenyl)-3-nitrobenzamide?
The CAS number of N-(3-cyanophenyl)-3-nitrobenzamide is 314766-61-5.
What is the molecular formula of N-(3-cyanophenyl)-3-nitrobenzamide?
The molecular formula of N-(3-cyanophenyl)-3-nitrobenzamide is C14H9N3O3.
What is the molecular weight of N-(3-cyanophenyl)-3-nitrobenzamide?
The molecular weight of N-(3-cyanophenyl)-3-nitrobenzamide is 267.06 g/mol.
Where can I buy N-(3-cyanophenyl)-3-nitrobenzamide?
You can request a quote for N-(3-cyanophenyl)-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-(3-cyanophenyl)-3-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-cyanophenyl)-3-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.