![N-[5-chloro-2-(trifluoromethyl)phenyl]-3-nitro-4-pyrrolidin-1-ylbenzamide structure](/static/products/5787/578736-61-5.webp)
N-[5-chloro-2-(trifluoromethyl)phenyl]-3-nitro-4-pyrrolidin-1-ylbenzamide
TL;DR: N-[5-chloro-2-(trifluoromethyl)phenyl]-3-nitro-4-pyrrolidin-1-ylbenzamide (CAS 578736-61-5) is a chemical compound with molecular formula C18H15ClF3N3O3 and molecular weight 413.0754 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[5-chloro-2-(trifluoromethyl)phenyl]-3-nitro-4-pyrrolidin-1-ylbenzamide
Also Known As: N-[5-chloro-2-(trifluoromethyl)phenyl]-3-nitro-4-pyrrolidin-1-ylbenzamide, N-(5-chloro-2-(trifluoromethyl)phenyl)-3-nitro-4-(pyrrolidin-1-yl)benzamide, N-[5-chloro-2-(trifluoromethyl)phenyl]-3-nitro-4-(pyrrolidin-1-yl)benzamide
Technical Specifications
| Molecular Formula | C18H15ClF3N3O3 |
| Molecular Weight | 413.0754 g/mol |
| XLogP | 4.7 |
| Topological Polar Surface Area (TPSA) | 78.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 413.0754 Da |
| Heavy Atoms | 28 |
| Complexity | 581.0 |
| SMILES | C1CCN(C1)C2=C(C=C(C=C2)C(=O)NC3=C(C=CC(=C3)Cl)C(F)(F)F)[N+](=O)[O-] |
| InChIKey | PSVFUCXHLLUOIH-UHFFFAOYSA-N |
Chemical Property Profile of N-[5-chloro-2-(trifluoromethyl)phenyl]-3-nitro-4-pyrrolidin-1-ylbenzamide
Property Insights of N-[5-chloro-2-(trifluoromethyl)phenyl]-3-nitro-4-pyrrolidin-1-ylbenzamide
The XLogP value of 4.7 indicates that N-[5-chloro-2-(trifluoromethyl)phenyl]-3-nitro-4-pyrrolidin-1-ylbenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.2 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[5-chloro-2-(trifluoromethyl)phenyl]-3-nitro-4-pyrrolidin-1-ylbenzamide. Following Lipinski's Rule of Five, N-[5-chloro-2-(trifluoromethyl)phenyl]-3-nitro-4-pyrrolidin-1-ylbenzamide has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of N-[5-chloro-2-(trifluoromethyl)phenyl]-3-nitro-4-pyrrolidin-1-ylbenzamide?
The CAS number of N-[5-chloro-2-(trifluoromethyl)phenyl]-3-nitro-4-pyrrolidin-1-ylbenzamide is 578736-61-5.
What is the molecular formula of N-[5-chloro-2-(trifluoromethyl)phenyl]-3-nitro-4-pyrrolidin-1-ylbenzamide?
The molecular formula of N-[5-chloro-2-(trifluoromethyl)phenyl]-3-nitro-4-pyrrolidin-1-ylbenzamide is C18H15ClF3N3O3.
What is the molecular weight of N-[5-chloro-2-(trifluoromethyl)phenyl]-3-nitro-4-pyrrolidin-1-ylbenzamide?
The molecular weight of N-[5-chloro-2-(trifluoromethyl)phenyl]-3-nitro-4-pyrrolidin-1-ylbenzamide is 413.0754 g/mol.
Where can I buy N-[5-chloro-2-(trifluoromethyl)phenyl]-3-nitro-4-pyrrolidin-1-ylbenzamide?
You can request a quote for N-[5-chloro-2-(trifluoromethyl)phenyl]-3-nitro-4-pyrrolidin-1-ylbenzamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-[5-chloro-2-(trifluoromethyl)phenyl]-3-nitro-4-pyrrolidin-1-ylbenzamide?
Yes, CoreyChem provides custom synthesis services for N-[5-chloro-2-(trifluoromethyl)phenyl]-3-nitro-4-pyrrolidin-1-ylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.