![2-(benzylamino)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-thioxoacetamide structure](/static/products/3290/329078-63-9.webp)
2-(benzylamino)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-thioxoacetamide
TL;DR: 2-(benzylamino)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-thioxoacetamide (CAS 329078-63-9) is a chemical compound with molecular formula C16H12ClF3N2OS and molecular weight 372.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(benzylamino)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-sulfanylideneacetamide
Also Known As: 2-(benzylamino)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-thioxoacetamide, 1-(benzylcarbamothioyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]formamide, 2-(benzylamino)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-sulfanylideneacetamide, N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[benzylamino]-2-thioxoacetamide
| Molecular Formula | C16H12ClF3N2OS |
|---|---|
| Molecular Weight | 372.03 g/mol |
| LogP | 4.4145 |
| Topological Polar Surface Area | 41.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 372.0311 |
| Heavy Atoms | 24 |
| Complexity | 750.7329 |
Chemical Identifiers
| CAS Number | 329078-63-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC(=S)C(=O)NC2=CC(=C(C=C2)Cl)C(F)(F)F |
Product Overview
2-(benzylamino)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-thioxoacetamide (CAS 329078-63-9), with molecular formula C16H12ClF3N2OS and molecular weight 372.03 g/mol. IUPAC: 2-(benzylamino)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-sulfanylideneacetamide.
Chemical Property Profile of 2-(benzylamino)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-thioxoacetamide
Property Insights of 2-(benzylamino)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-thioxoacetamide
The XLogP value of 4.4145 indicates that 2-(benzylamino)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-thioxoacetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.13 Ų, 2-(benzylamino)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-thioxoacetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(benzylamino)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-thioxoacetamide has 2 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 2-(benzylamino)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-thioxoacetamide?
The CAS number of 2-(benzylamino)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-thioxoacetamide is 329078-63-9.
What is the molecular formula of 2-(benzylamino)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-thioxoacetamide?
The molecular formula of 2-(benzylamino)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-thioxoacetamide is C16H12ClF3N2OS.
What is the molecular weight of 2-(benzylamino)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-thioxoacetamide?
The molecular weight of 2-(benzylamino)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-thioxoacetamide is 372.03 g/mol.
Where can I buy 2-(benzylamino)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-thioxoacetamide?
You can request a quote for 2-(benzylamino)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-thioxoacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(benzylamino)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-thioxoacetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(benzylamino)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-thioxoacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.