N-(3-cyanophenyl)-2,4-dimethylbenzamide
TL;DR: N-(3-cyanophenyl)-2,4-dimethylbenzamide (CAS 702649-27-2) is a chemical compound with molecular formula C16H14N2O and molecular weight 250.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-cyanophenyl)-2,4-dimethylbenzamide
Also Known As: N-(3-cyanophenyl)-2,4-dimethylbenzamide, Benzamide,N- -2,4-dimethyl-, Benzamide,N-(3-cyanophenyl)-2,4-dimethyl-, Benzamide, N-(3-cyanophenyl)-2,4-dimethyl- (9CI)
| Molecular Formula | C16H14N2O |
|---|---|
| Molecular Weight | 250.11 g/mol |
| LogP | 3.42742 |
| Topological Polar Surface Area | 52.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 250.11061 |
| Heavy Atoms | 19 |
| Complexity | 668.6894 |
Chemical Identifiers
| CAS Number | 702649-27-2 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C(=O)NC2=CC=CC(=C2)C#N)C |
Product Overview
N-(3-cyanophenyl)-2,4-dimethylbenzamide (CAS 702649-27-2), with molecular formula C16H14N2O and molecular weight 250.11 g/mol. IUPAC: N-(3-cyanophenyl)-2,4-dimethylbenzamide.
Chemical Property Profile of N-(3-cyanophenyl)-2,4-dimethylbenzamide
Property Insights of N-(3-cyanophenyl)-2,4-dimethylbenzamide
The XLogP value of 3.42742 indicates that N-(3-cyanophenyl)-2,4-dimethylbenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.89 Ų, N-(3-cyanophenyl)-2,4-dimethylbenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(3-cyanophenyl)-2,4-dimethylbenzamide 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 N-(3-cyanophenyl)-2,4-dimethylbenzamide?
The CAS number of N-(3-cyanophenyl)-2,4-dimethylbenzamide is 702649-27-2.
What is the molecular formula of N-(3-cyanophenyl)-2,4-dimethylbenzamide?
The molecular formula of N-(3-cyanophenyl)-2,4-dimethylbenzamide is C16H14N2O.
What is the molecular weight of N-(3-cyanophenyl)-2,4-dimethylbenzamide?
The molecular weight of N-(3-cyanophenyl)-2,4-dimethylbenzamide is 250.11 g/mol.
Where can I buy N-(3-cyanophenyl)-2,4-dimethylbenzamide?
You can request a quote for N-(3-cyanophenyl)-2,4-dimethylbenzamide 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)-2,4-dimethylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-cyanophenyl)-2,4-dimethylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.