N-(2-Methyldecahydroisoquinolin-5-yl)-4-(trifluoromethyl)benzamide
TL;DR: N-(2-Methyldecahydroisoquinolin-5-yl)-4-(trifluoromethyl)benzamide (CAS 72469-12-6) is a chemical compound with molecular formula C18H23F3N2O and molecular weight 340.17624 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[(4aS,8aR)-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-5-yl]-4-(trifluoromethyl)benzamide
Also Known As: trans-N-(2-Methyldecahydroisoquinol-5-yl)-4-trifluoromethylbenzamide, BENZAMIDE, N-(2-METHYLDECAHYDROISOQUINOL-5-YL)-4-TRIFLUOROMETHYL-, (E)-, N-(2-Methyldecahydroisoquinolin-5-yl)-4-(trifluoromethyl)benzamide, N-[(4aS,8aR)-2-Methyldecahydroisoquinolin-5-yl]-4-(trifluoromethyl)benzamide, N-[(4aS,8aR)-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-5-yl]-4-(trifluoromethyl)benzamide
Technical Specifications
| Molecular Formula | C18H23F3N2O |
| Molecular Weight | 340.17624 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 32.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 340.17624 Da |
| Heavy Atoms | 24 |
| Complexity | 446.0 |
| SMILES | CN1CC[C@H]2[C@H](C1)CCCC2NC(=O)C3=CC=C(C=C3)C(F)(F)F |
| InChIKey | VAZHUCJZNBKCDN-JFXOEICMSA-N |
Chemical Property Profile of N-(2-Methyldecahydroisoquinolin-5-yl)-4-(trifluoromethyl)benzamide
Property Insights of N-(2-Methyldecahydroisoquinolin-5-yl)-4-(trifluoromethyl)benzamide
The XLogP value of 3.7 indicates that N-(2-Methyldecahydroisoquinolin-5-yl)-4-(trifluoromethyl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.3 Ų, N-(2-Methyldecahydroisoquinolin-5-yl)-4-(trifluoromethyl)benzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(2-Methyldecahydroisoquinolin-5-yl)-4-(trifluoromethyl)benzamide has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of N-(2-Methyldecahydroisoquinolin-5-yl)-4-(trifluoromethyl)benzamide?
The CAS number of N-(2-Methyldecahydroisoquinolin-5-yl)-4-(trifluoromethyl)benzamide is 72469-12-6.
What is the molecular formula of N-(2-Methyldecahydroisoquinolin-5-yl)-4-(trifluoromethyl)benzamide?
The molecular formula of N-(2-Methyldecahydroisoquinolin-5-yl)-4-(trifluoromethyl)benzamide is C18H23F3N2O.
What is the molecular weight of N-(2-Methyldecahydroisoquinolin-5-yl)-4-(trifluoromethyl)benzamide?
The molecular weight of N-(2-Methyldecahydroisoquinolin-5-yl)-4-(trifluoromethyl)benzamide is 340.17624 g/mol.
Where can I buy N-(2-Methyldecahydroisoquinolin-5-yl)-4-(trifluoromethyl)benzamide?
You can request a quote for N-(2-Methyldecahydroisoquinolin-5-yl)-4-(trifluoromethyl)benzamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-(2-Methyldecahydroisoquinolin-5-yl)-4-(trifluoromethyl)benzamide?
Yes, CoreyChem provides custom synthesis services for N-(2-Methyldecahydroisoquinolin-5-yl)-4-(trifluoromethyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.