2-chloro-N-(3,5-dimethoxybenzyl)-N-ethyl-4-(trifluoromethyl)nicotinamide
TL;DR: 2-chloro-N-(3,5-dimethoxybenzyl)-N-ethyl-4-(trifluoromethyl)nicotinamide (CAS 680213-86-9) is a chemical compound with molecular formula C18H18ClF3N2O3 and molecular weight 402.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-N-[(3,5-dimethoxyphenyl)methyl]-N-ethyl-4-(trifluoromethyl)pyridine-3-carboxamide
Also Known As: 2-chloro-N-(3,5-dimethoxybenzyl)-N-ethyl-4-(trifluoromethyl)nicotinamide, 2-chloro-N-[(3,5-dimethoxyphenyl)methyl]-N-ethyl-4-(trifluoromethyl)pyridine-3-carboxamide
| Molecular Formula | C18H18ClF3N2O3 |
|---|---|
| Molecular Weight | 402.10 g/mol |
| LogP | 4.4333 |
| Topological Polar Surface Area | 51.66 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 402.0958 |
| Heavy Atoms | 27 |
| Complexity | 805.7345 |
Chemical Identifiers
| CAS Number | 680213-86-9 |
|---|---|
| SMILES | CCN(CC1=CC(=CC(=C1)OC)OC)C(=O)C2=C(C=CN=C2Cl)C(F)(F)F |
Product Overview
2-chloro-N-(3,5-dimethoxybenzyl)-N-ethyl-4-(trifluoromethyl)nicotinamide (CAS 680213-86-9), with molecular formula C18H18ClF3N2O3 and molecular weight 402.10 g/mol. IUPAC: 2-chloro-N-[(3,5-dimethoxyphenyl)methyl]-N-ethyl-4-(trifluoromethyl)pyridine-3-carboxamide.
Chemical Property Profile of 2-chloro-N-(3,5-dimethoxybenzyl)-N-ethyl-4-(trifluoromethyl)nicotinamide
Property Insights of 2-chloro-N-(3,5-dimethoxybenzyl)-N-ethyl-4-(trifluoromethyl)nicotinamide
The XLogP value of 4.4333 indicates that 2-chloro-N-(3,5-dimethoxybenzyl)-N-ethyl-4-(trifluoromethyl)nicotinamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.66 Ų, 2-chloro-N-(3,5-dimethoxybenzyl)-N-ethyl-4-(trifluoromethyl)nicotinamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-chloro-N-(3,5-dimethoxybenzyl)-N-ethyl-4-(trifluoromethyl)nicotinamide has 0 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 2-chloro-N-(3,5-dimethoxybenzyl)-N-ethyl-4-(trifluoromethyl)nicotinamide?
The CAS number of 2-chloro-N-(3,5-dimethoxybenzyl)-N-ethyl-4-(trifluoromethyl)nicotinamide is 680213-86-9.
What is the molecular formula of 2-chloro-N-(3,5-dimethoxybenzyl)-N-ethyl-4-(trifluoromethyl)nicotinamide?
The molecular formula of 2-chloro-N-(3,5-dimethoxybenzyl)-N-ethyl-4-(trifluoromethyl)nicotinamide is C18H18ClF3N2O3.
What is the molecular weight of 2-chloro-N-(3,5-dimethoxybenzyl)-N-ethyl-4-(trifluoromethyl)nicotinamide?
The molecular weight of 2-chloro-N-(3,5-dimethoxybenzyl)-N-ethyl-4-(trifluoromethyl)nicotinamide is 402.10 g/mol.
Where can I buy 2-chloro-N-(3,5-dimethoxybenzyl)-N-ethyl-4-(trifluoromethyl)nicotinamide?
You can request a quote for 2-chloro-N-(3,5-dimethoxybenzyl)-N-ethyl-4-(trifluoromethyl)nicotinamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-chloro-N-(3,5-dimethoxybenzyl)-N-ethyl-4-(trifluoromethyl)nicotinamide?
Yes, KEHONG BIO provides custom synthesis services for 2-chloro-N-(3,5-dimethoxybenzyl)-N-ethyl-4-(trifluoromethyl)nicotinamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.