![N-[4-chloro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide structure](/static/products/1369/13691-92-4.webp)
N-[4-chloro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide
TL;DR: N-[4-chloro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide (CAS 13691-92-4) is a chemical compound with molecular formula C12H13ClF3NO and molecular weight 279.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-chloro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide
Also Known As: N-[4-chloro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide, N-(4-chloro-3-(trifluoromethyl)phenyl)pivalamide, N-(4-Chloro-3-trifluoromethylphenyl)-2,2-dimethylpropionamide, N-[4-chloro-3-(trifluoromethyl)phenyl]-2,2-dimethyl-propanamide
| Molecular Formula | C12H13ClF3NO |
|---|---|
| Molecular Weight | 279.06 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 279.06378 |
| Heavy Atoms | 18 |
| Complexity | 311.0 |
Chemical Identifiers
| CAS Number | 13691-92-4 |
|---|---|
| SMILES | CC(C)(C)C(=O)NC1=CC(=C(C=C1)Cl)C(F)(F)F |
| InChIKey | PBVCSEASIYSIDH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-[4-chloro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide (CAS 13691-92-4), with molecular formula C12H13ClF3NO and molecular weight 279.06 g/mol. IUPAC: N-[4-chloro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide.
Chemical Property Profile of N-[4-chloro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide
Property Insights of N-[4-chloro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide
The XLogP value of 4.7 indicates that N-[4-chloro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.1 Ų, N-[4-chloro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[4-chloro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide has 1 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 N-[4-chloro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide?
The CAS number of N-[4-chloro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide is 13691-92-4.
What is the molecular formula of N-[4-chloro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide?
The molecular formula of N-[4-chloro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide is C12H13ClF3NO.
What is the molecular weight of N-[4-chloro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide?
The molecular weight of N-[4-chloro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide is 279.06 g/mol.
Where can I buy N-[4-chloro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide?
You can request a quote for N-[4-chloro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide 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]-2,2-dimethylpropanamide?
Yes, KEHONG BIO provides custom synthesis services for N-[4-chloro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.