N-(2-cyanophenyl)-4-fluorobenzamide
TL;DR: N-(2-cyanophenyl)-4-fluorobenzamide (CAS 195702-33-1) is a chemical compound with molecular formula C14H9FN2O and molecular weight 240.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-cyanophenyl)-4-fluorobenzamide
Also Known As: N-(2-cyanophenyl)-4-fluorobenzamide, BAS 00090113, N-(2-Cyano-phenyl)-4-fluoro-benzamide, J3.383.199D, N-(2-cyanophenyl)(4-fluorophenyl)carboxamide
| Molecular Formula | C14H9FN2O |
|---|---|
| Molecular Weight | 240.07 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 52.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 240.06989 |
| Heavy Atoms | 18 |
| Complexity | 341.0 |
Chemical Identifiers
| CAS Number | 195702-33-1 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C#N)NC(=O)C2=CC=C(C=C2)F |
| InChIKey | BIGFKIVIYQNJSR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(2-cyanophenyl)-4-fluorobenzamide (CAS 195702-33-1), with molecular formula C14H9FN2O and molecular weight 240.07 g/mol. IUPAC: N-(2-cyanophenyl)-4-fluorobenzamide.
Chemical Property Profile of N-(2-cyanophenyl)-4-fluorobenzamide
Property Insights of N-(2-cyanophenyl)-4-fluorobenzamide
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-cyanophenyl)-4-fluorobenzamide. With a topological polar surface area (TPSA) of 52.9 Ų, N-(2-cyanophenyl)-4-fluorobenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(2-cyanophenyl)-4-fluorobenzamide 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-(2-cyanophenyl)-4-fluorobenzamide?
The CAS number of N-(2-cyanophenyl)-4-fluorobenzamide is 195702-33-1.
What is the molecular formula of N-(2-cyanophenyl)-4-fluorobenzamide?
The molecular formula of N-(2-cyanophenyl)-4-fluorobenzamide is C14H9FN2O.
What is the molecular weight of N-(2-cyanophenyl)-4-fluorobenzamide?
The molecular weight of N-(2-cyanophenyl)-4-fluorobenzamide is 240.07 g/mol.
Where can I buy N-(2-cyanophenyl)-4-fluorobenzamide?
You can request a quote for N-(2-cyanophenyl)-4-fluorobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-cyanophenyl)-4-fluorobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-cyanophenyl)-4-fluorobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.