3-chloro-N-(3-cyanophenyl)-4-methylbenzamide
TL;DR: 3-chloro-N-(3-cyanophenyl)-4-methylbenzamide (CAS 462080-26-8) is a chemical compound with molecular formula C15H11ClN2O and molecular weight 270.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-N-(3-cyanophenyl)-4-methylbenzamide
Also Known As: 3-chloro-N-(3-cyanophenyl)-4-methylbenzamide
| Molecular Formula | C15H11ClN2O |
|---|---|
| Molecular Weight | 270.06 g/mol |
| LogP | 3.7724 |
| Topological Polar Surface Area | 52.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 270.056 |
| Heavy Atoms | 19 |
| Complexity | 674.08606 |
Chemical Identifiers
| CAS Number | 462080-26-8 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C#N)Cl |
Product Overview
3-chloro-N-(3-cyanophenyl)-4-methylbenzamide (CAS 462080-26-8), with molecular formula C15H11ClN2O and molecular weight 270.06 g/mol. IUPAC: 3-chloro-N-(3-cyanophenyl)-4-methylbenzamide.
Chemical Property Profile of 3-chloro-N-(3-cyanophenyl)-4-methylbenzamide
Property Insights of 3-chloro-N-(3-cyanophenyl)-4-methylbenzamide
The XLogP value of 3.7724 indicates that 3-chloro-N-(3-cyanophenyl)-4-methylbenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.89 Ų, 3-chloro-N-(3-cyanophenyl)-4-methylbenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-chloro-N-(3-cyanophenyl)-4-methylbenzamide has 1 hydrogen bond donor(s) and 2 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 3-chloro-N-(3-cyanophenyl)-4-methylbenzamide?
The CAS number of 3-chloro-N-(3-cyanophenyl)-4-methylbenzamide is 462080-26-8.
What is the molecular formula of 3-chloro-N-(3-cyanophenyl)-4-methylbenzamide?
The molecular formula of 3-chloro-N-(3-cyanophenyl)-4-methylbenzamide is C15H11ClN2O.
What is the molecular weight of 3-chloro-N-(3-cyanophenyl)-4-methylbenzamide?
The molecular weight of 3-chloro-N-(3-cyanophenyl)-4-methylbenzamide is 270.06 g/mol.
Where can I buy 3-chloro-N-(3-cyanophenyl)-4-methylbenzamide?
You can request a quote for 3-chloro-N-(3-cyanophenyl)-4-methylbenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-chloro-N-(3-cyanophenyl)-4-methylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for 3-chloro-N-(3-cyanophenyl)-4-methylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.