N-(3-chloro-4-methoxyphenyl)-2,2,2-trifluoroacetamide
TL;DR: N-(3-chloro-4-methoxyphenyl)-2,2,2-trifluoroacetamide (CAS 64694-84-4) is a chemical compound with molecular formula C9H7ClF3NO2 and molecular weight 253.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-chloro-4-methoxyphenyl)-2,2,2-trifluoroacetamide
Also Known As: N-(3-chloro-4-methoxyphenyl)-2,2,2-trifluoroacetamide, Acetamide, N-(3-chloro-4-methoxyphenyl)-2,2,2-trifluoro-
| Molecular Formula | C9H7ClF3NO2 |
|---|---|
| Molecular Weight | 253.01 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 253.01173 |
| Heavy Atoms | 16 |
| Complexity | 260.0 |
Chemical Identifiers
| CAS Number | 64694-84-4 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)NC(=O)C(F)(F)F)Cl |
| InChIKey | GPXYAWBBRSBDNT-UHFFFAOYSA-N |
Product Overview
N-(3-chloro-4-methoxyphenyl)-2,2,2-trifluoroacetamide (CAS 64694-84-4), with molecular formula C9H7ClF3NO2 and molecular weight 253.01 g/mol. IUPAC: N-(3-chloro-4-methoxyphenyl)-2,2,2-trifluoroacetamide.
Chemical Property Profile of N-(3-chloro-4-methoxyphenyl)-2,2,2-trifluoroacetamide
Property Insights of N-(3-chloro-4-methoxyphenyl)-2,2,2-trifluoroacetamide
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(3-chloro-4-methoxyphenyl)-2,2,2-trifluoroacetamide. With a topological polar surface area (TPSA) of 38.3 Ų, N-(3-chloro-4-methoxyphenyl)-2,2,2-trifluoroacetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(3-chloro-4-methoxyphenyl)-2,2,2-trifluoroacetamide 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
Frequently Asked Questions
What is the CAS number of N-(3-chloro-4-methoxyphenyl)-2,2,2-trifluoroacetamide?
The CAS number of N-(3-chloro-4-methoxyphenyl)-2,2,2-trifluoroacetamide is 64694-84-4.
What is the molecular formula of N-(3-chloro-4-methoxyphenyl)-2,2,2-trifluoroacetamide?
The molecular formula of N-(3-chloro-4-methoxyphenyl)-2,2,2-trifluoroacetamide is C9H7ClF3NO2.
What is the molecular weight of N-(3-chloro-4-methoxyphenyl)-2,2,2-trifluoroacetamide?
The molecular weight of N-(3-chloro-4-methoxyphenyl)-2,2,2-trifluoroacetamide is 253.01 g/mol.
Where can I buy N-(3-chloro-4-methoxyphenyl)-2,2,2-trifluoroacetamide?
You can request a quote for N-(3-chloro-4-methoxyphenyl)-2,2,2-trifluoroacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-chloro-4-methoxyphenyl)-2,2,2-trifluoroacetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-chloro-4-methoxyphenyl)-2,2,2-trifluoroacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.