4-cyano-2-fluoro-N-{4-nitrophenyl}benzamide
TL;DR: 4-cyano-2-fluoro-N-{4-nitrophenyl}benzamide (CAS 586987-72-6) is a chemical compound with molecular formula C14H8FN3O3 and molecular weight 285.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-cyano-2-fluoro-N-(4-nitrophenyl)benzamide
Also Known As: 4-cyano-2-fluoro-N-{4-nitrophenyl}benzamide, 4-Cyano-2-fluoro-N-{4-nitrophenyl}, 4-cyano-2-fluoro-N-(4-nitrophenyl)benzamide, AN-465/40934174
| Molecular Formula | C14H8FN3O3 |
|---|---|
| Molecular Weight | 285.05 g/mol |
| LogP | 2.85788 |
| Topological Polar Surface Area | 96.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 285.05496 |
| Heavy Atoms | 21 |
| Complexity | 751.0498 |
Chemical Identifiers
| CAS Number | 586987-72-6 |
|---|---|
| SMILES | C1=CC(=CC=C1NC(=O)C2=C(C=C(C=C2)C#N)F)[N+](=O)[O-] |
Product Overview
4-cyano-2-fluoro-N-{4-nitrophenyl}benzamide (CAS 586987-72-6), with molecular formula C14H8FN3O3 and molecular weight 285.05 g/mol. IUPAC: 4-cyano-2-fluoro-N-(4-nitrophenyl)benzamide.
Chemical Property Profile of 4-cyano-2-fluoro-N-{4-nitrophenyl}benzamide
Property Insights of 4-cyano-2-fluoro-N-{4-nitrophenyl}benzamide
The XLogP value of 2.85788 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-cyano-2-fluoro-N-{4-nitrophenyl}benzamide. The TPSA of 96.03 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-cyano-2-fluoro-N-{4-nitrophenyl}benzamide. Following Lipinski's Rule of Five, 4-cyano-2-fluoro-N-{4-nitrophenyl}benzamide 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 4-cyano-2-fluoro-N-{4-nitrophenyl}benzamide?
The CAS number of 4-cyano-2-fluoro-N-{4-nitrophenyl}benzamide is 586987-72-6.
What is the molecular formula of 4-cyano-2-fluoro-N-{4-nitrophenyl}benzamide?
The molecular formula of 4-cyano-2-fluoro-N-{4-nitrophenyl}benzamide is C14H8FN3O3.
What is the molecular weight of 4-cyano-2-fluoro-N-{4-nitrophenyl}benzamide?
The molecular weight of 4-cyano-2-fluoro-N-{4-nitrophenyl}benzamide is 285.05 g/mol.
Where can I buy 4-cyano-2-fluoro-N-{4-nitrophenyl}benzamide?
You can request a quote for 4-cyano-2-fluoro-N-{4-nitrophenyl}benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-cyano-2-fluoro-N-{4-nitrophenyl}benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-cyano-2-fluoro-N-{4-nitrophenyl}benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.