2,2,2-trichloro-N-(4-cyanophenyl)acetamide
TL;DR: 2,2,2-trichloro-N-(4-cyanophenyl)acetamide (CAS 53165-95-0) is a chemical compound with molecular formula C9H5Cl3N2O and molecular weight 261.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,2-trichloro-N-(4-cyanophenyl)acetamide
Also Known As: 2,2,2-trichloro-N-(4-cyanophenyl)acetamide, acetamide, 2,2,2-trichloro-n-(4-cyanophenyl)-, ACETAMIDE,2,2,2-TRICHLORO-N-(4-CYANOPHENYL)-
| Molecular Formula | C9H5Cl3N2O |
|---|---|
| Molecular Weight | 261.95 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 52.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 261.94675 |
| Heavy Atoms | 15 |
| Complexity | 283.0 |
Chemical Identifiers
| CAS Number | 53165-95-0 |
|---|---|
| SMILES | C1=CC(=CC=C1C#N)NC(=O)C(Cl)(Cl)Cl |
| InChIKey | RWWHDWGTLIGQBC-UHFFFAOYSA-N |
Product Overview
2,2,2-trichloro-N-(4-cyanophenyl)acetamide (CAS 53165-95-0), with molecular formula C9H5Cl3N2O and molecular weight 261.95 g/mol. IUPAC: 2,2,2-trichloro-N-(4-cyanophenyl)acetamide.
Chemical Property Profile of 2,2,2-trichloro-N-(4-cyanophenyl)acetamide
Property Insights of 2,2,2-trichloro-N-(4-cyanophenyl)acetamide
The XLogP value of 3.2 indicates that 2,2,2-trichloro-N-(4-cyanophenyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.9 Ų, 2,2,2-trichloro-N-(4-cyanophenyl)acetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2,2-trichloro-N-(4-cyanophenyl)acetamide has 1 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 2,2,2-trichloro-N-(4-cyanophenyl)acetamide?
The CAS number of 2,2,2-trichloro-N-(4-cyanophenyl)acetamide is 53165-95-0.
What is the molecular formula of 2,2,2-trichloro-N-(4-cyanophenyl)acetamide?
The molecular formula of 2,2,2-trichloro-N-(4-cyanophenyl)acetamide is C9H5Cl3N2O.
What is the molecular weight of 2,2,2-trichloro-N-(4-cyanophenyl)acetamide?
The molecular weight of 2,2,2-trichloro-N-(4-cyanophenyl)acetamide is 261.95 g/mol.
Where can I buy 2,2,2-trichloro-N-(4-cyanophenyl)acetamide?
You can request a quote for 2,2,2-trichloro-N-(4-cyanophenyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2,2-trichloro-N-(4-cyanophenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2,2,2-trichloro-N-(4-cyanophenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.