![2-[2-nitro-4-(trifluoromethyl)anilino]-N-propan-2-ylacetamide structure](/static/products/851/851799-13-8.png)
2-[2-nitro-4-(trifluoromethyl)anilino]-N-propan-2-ylacetamide
TL;DR: 2-[2-nitro-4-(trifluoromethyl)anilino]-N-propan-2-ylacetamide (CAS 851799-13-8) is a chemical compound with molecular formula C12H14F3N3O3 and molecular weight 305.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-nitro-4-(trifluoromethyl)anilino]-N-propan-2-ylacetamide
Also Known As: 2-[2-nitro-4-(trifluoromethyl)anilino]-N-propan-2-ylacetamide, N~2~-[2-Nitro-4-(trifluoromethyl)phenyl]-N-propan-2-ylglycinamide
| Molecular Formula | C12H14F3N3O3 |
|---|---|
| Molecular Weight | 305.10 g/mol |
| LogP | 2.5501 |
| Topological Polar Surface Area | 84.27 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 305.09872 |
| Heavy Atoms | 21 |
| Complexity | 544.28455 |
Chemical Identifiers
| CAS Number | 851799-13-8 |
|---|---|
| SMILES | CC(C)NC(=O)CNC1=C(C=C(C=C1)C(F)(F)F)[N+](=O)[O-] |
Product Overview
2-[2-nitro-4-(trifluoromethyl)anilino]-N-propan-2-ylacetamide (CAS 851799-13-8), with molecular formula C12H14F3N3O3 and molecular weight 305.10 g/mol. IUPAC: 2-[2-nitro-4-(trifluoromethyl)anilino]-N-propan-2-ylacetamide.
Chemical Property Profile of 2-[2-nitro-4-(trifluoromethyl)anilino]-N-propan-2-ylacetamide
Property Insights of 2-[2-nitro-4-(trifluoromethyl)anilino]-N-propan-2-ylacetamide
The XLogP value of 2.5501 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[2-nitro-4-(trifluoromethyl)anilino]-N-propan-2-ylacetamide. The TPSA of 84.27 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[2-nitro-4-(trifluoromethyl)anilino]-N-propan-2-ylacetamide. Following Lipinski's Rule of Five, 2-[2-nitro-4-(trifluoromethyl)anilino]-N-propan-2-ylacetamide has 2 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 2-[2-nitro-4-(trifluoromethyl)anilino]-N-propan-2-ylacetamide?
The CAS number of 2-[2-nitro-4-(trifluoromethyl)anilino]-N-propan-2-ylacetamide is 851799-13-8.
What is the molecular formula of 2-[2-nitro-4-(trifluoromethyl)anilino]-N-propan-2-ylacetamide?
The molecular formula of 2-[2-nitro-4-(trifluoromethyl)anilino]-N-propan-2-ylacetamide is C12H14F3N3O3.
What is the molecular weight of 2-[2-nitro-4-(trifluoromethyl)anilino]-N-propan-2-ylacetamide?
The molecular weight of 2-[2-nitro-4-(trifluoromethyl)anilino]-N-propan-2-ylacetamide is 305.10 g/mol.
Where can I buy 2-[2-nitro-4-(trifluoromethyl)anilino]-N-propan-2-ylacetamide?
You can request a quote for 2-[2-nitro-4-(trifluoromethyl)anilino]-N-propan-2-ylacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[2-nitro-4-(trifluoromethyl)anilino]-N-propan-2-ylacetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-[2-nitro-4-(trifluoromethyl)anilino]-N-propan-2-ylacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.