N-(4-chloro-3-(trifluoromethyl)phenyl)-3,4-dihydroisoquinoline-2(1H)-carboxamide
TL;DR: N-(4-chloro-3-(trifluoromethyl)phenyl)-3,4-dihydroisoquinoline-2(1H)-carboxamide (CAS 1022641-41-3) is a chemical compound with molecular formula C17H14ClF3N2O and molecular weight 354.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-chloro-3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
Also Known As: AB00018676-01, N-[4-chloro-3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide, N-(4-chloro-3-(trifluoromethyl)phenyl)-3,4-dihydroisoquinoline-2(1H)-carboxamide, N-[4-Chloro-3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroisoquinoline-2-carboxamide
| Molecular Formula | C17H14ClF3N2O |
|---|---|
| Molecular Weight | 354.07 g/mol |
| LogP | 4.949 |
| Topological Polar Surface Area | 32.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 354.07468 |
| Heavy Atoms | 24 |
| Complexity | 776.67126 |
Chemical Identifiers
| CAS Number | 1022641-41-3 |
|---|---|
| SMILES | C1CN(CC2=CC=CC=C21)C(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F |
Product Overview
N-(4-chloro-3-(trifluoromethyl)phenyl)-3,4-dihydroisoquinoline-2(1H)-carboxamide (CAS 1022641-41-3), with molecular formula C17H14ClF3N2O and molecular weight 354.07 g/mol. IUPAC: N-[4-chloro-3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide.
Chemical Property Profile of N-(4-chloro-3-(trifluoromethyl)phenyl)-3,4-dihydroisoquinoline-2(1H)-carboxamide
Property Insights of N-(4-chloro-3-(trifluoromethyl)phenyl)-3,4-dihydroisoquinoline-2(1H)-carboxamide
The XLogP value of 4.949 indicates that N-(4-chloro-3-(trifluoromethyl)phenyl)-3,4-dihydroisoquinoline-2(1H)-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.34 Ų, N-(4-chloro-3-(trifluoromethyl)phenyl)-3,4-dihydroisoquinoline-2(1H)-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(4-chloro-3-(trifluoromethyl)phenyl)-3,4-dihydroisoquinoline-2(1H)-carboxamide has 1 hydrogen bond donor(s) and 1 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-(4-chloro-3-(trifluoromethyl)phenyl)-3,4-dihydroisoquinoline-2(1H)-carboxamide?
The CAS number of N-(4-chloro-3-(trifluoromethyl)phenyl)-3,4-dihydroisoquinoline-2(1H)-carboxamide is 1022641-41-3.
What is the molecular formula of N-(4-chloro-3-(trifluoromethyl)phenyl)-3,4-dihydroisoquinoline-2(1H)-carboxamide?
The molecular formula of N-(4-chloro-3-(trifluoromethyl)phenyl)-3,4-dihydroisoquinoline-2(1H)-carboxamide is C17H14ClF3N2O.
What is the molecular weight of N-(4-chloro-3-(trifluoromethyl)phenyl)-3,4-dihydroisoquinoline-2(1H)-carboxamide?
The molecular weight of N-(4-chloro-3-(trifluoromethyl)phenyl)-3,4-dihydroisoquinoline-2(1H)-carboxamide is 354.07 g/mol.
Where can I buy N-(4-chloro-3-(trifluoromethyl)phenyl)-3,4-dihydroisoquinoline-2(1H)-carboxamide?
You can request a quote for N-(4-chloro-3-(trifluoromethyl)phenyl)-3,4-dihydroisoquinoline-2(1H)-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-chloro-3-(trifluoromethyl)phenyl)-3,4-dihydroisoquinoline-2(1H)-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-chloro-3-(trifluoromethyl)phenyl)-3,4-dihydroisoquinoline-2(1H)-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.