![3-chloro-N-[4-cyano-5-methyl-2-oxo-3-(trifluoromethyl)-2,3-dihydro-1H-pyrrol-3-yl]benzamide structure](/static/products/577/577986-92-6.png)
3-chloro-N-[4-cyano-5-methyl-2-oxo-3-(trifluoromethyl)-2,3-dihydro-1H-pyrrol-3-yl]benzamide
TL;DR: 3-chloro-N-[4-cyano-5-methyl-2-oxo-3-(trifluoromethyl)-2,3-dihydro-1H-pyrrol-3-yl]benzamide (CAS 577986-92-6) is a chemical compound with molecular formula C14H9ClF3N3O2 and molecular weight 343.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-N-[4-cyano-5-methyl-2-oxo-3-(trifluoromethyl)-1H-pyrrol-3-yl]benzamide
Also Known As: 3-chloro-N-[4-cyano-5-methyl-2-oxo-3-(trifluoromethyl)-2,3-dihydro-1H-pyrrol-3-yl]benzamide, A3108/0131656, 3-chloro-N-[4-cyano-5-methyl-2-oxo-3-(trifluoromethyl)-1H-pyrrol-3-yl]benzamide, 3-chloro-N-(4-cyano-5-methyl-2-oxo-3-(trifluoromethyl)-2,3-dihydro-1H-pyrrol-3-yl)benzamide, 3-Chloro-N-(4-cyano-5-methyl-2-oxo-3-trifluoromethyl-2,3-dihydro-1H-pyrrol-3-yl)-benzamide
| Molecular Formula | C14H9ClF3N3O2 |
|---|---|
| Molecular Weight | 343.03 g/mol |
| LogP | 2.29828 |
| Topological Polar Surface Area | 81.99 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 343.03354 |
| Heavy Atoms | 23 |
| Complexity | 767.26636 |
Chemical Identifiers
| CAS Number | 577986-92-6 |
|---|---|
| SMILES | CC1=C(C(C(=O)N1)(C(F)(F)F)NC(=O)C2=CC(=CC=C2)Cl)C#N |
Product Overview
3-chloro-N-[4-cyano-5-methyl-2-oxo-3-(trifluoromethyl)-2,3-dihydro-1H-pyrrol-3-yl]benzamide (CAS 577986-92-6), with molecular formula C14H9ClF3N3O2 and molecular weight 343.03 g/mol. IUPAC: 3-chloro-N-[4-cyano-5-methyl-2-oxo-3-(trifluoromethyl)-1H-pyrrol-3-yl]benzamide.
Chemical Property Profile of 3-chloro-N-[4-cyano-5-methyl-2-oxo-3-(trifluoromethyl)-2,3-dihydro-1H-pyrrol-3-yl]benzamide
Property Insights of 3-chloro-N-[4-cyano-5-methyl-2-oxo-3-(trifluoromethyl)-2,3-dihydro-1H-pyrrol-3-yl]benzamide
The XLogP value of 2.29828 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-chloro-N-[4-cyano-5-methyl-2-oxo-3-(trifluoromethyl)-2,3-dihydro-1H-pyrrol-3-yl]benzamide. The TPSA of 81.99 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-chloro-N-[4-cyano-5-methyl-2-oxo-3-(trifluoromethyl)-2,3-dihydro-1H-pyrrol-3-yl]benzamide. Following Lipinski's Rule of Five, 3-chloro-N-[4-cyano-5-methyl-2-oxo-3-(trifluoromethyl)-2,3-dihydro-1H-pyrrol-3-yl]benzamide has 2 hydrogen bond donor(s) and 3 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 3-chloro-N-[4-cyano-5-methyl-2-oxo-3-(trifluoromethyl)-2,3-dihydro-1H-pyrrol-3-yl]benzamide?
The CAS number of 3-chloro-N-[4-cyano-5-methyl-2-oxo-3-(trifluoromethyl)-2,3-dihydro-1H-pyrrol-3-yl]benzamide is 577986-92-6.
What is the molecular formula of 3-chloro-N-[4-cyano-5-methyl-2-oxo-3-(trifluoromethyl)-2,3-dihydro-1H-pyrrol-3-yl]benzamide?
The molecular formula of 3-chloro-N-[4-cyano-5-methyl-2-oxo-3-(trifluoromethyl)-2,3-dihydro-1H-pyrrol-3-yl]benzamide is C14H9ClF3N3O2.
What is the molecular weight of 3-chloro-N-[4-cyano-5-methyl-2-oxo-3-(trifluoromethyl)-2,3-dihydro-1H-pyrrol-3-yl]benzamide?
The molecular weight of 3-chloro-N-[4-cyano-5-methyl-2-oxo-3-(trifluoromethyl)-2,3-dihydro-1H-pyrrol-3-yl]benzamide is 343.03 g/mol.
Where can I buy 3-chloro-N-[4-cyano-5-methyl-2-oxo-3-(trifluoromethyl)-2,3-dihydro-1H-pyrrol-3-yl]benzamide?
You can request a quote for 3-chloro-N-[4-cyano-5-methyl-2-oxo-3-(trifluoromethyl)-2,3-dihydro-1H-pyrrol-3-yl]benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-chloro-N-[4-cyano-5-methyl-2-oxo-3-(trifluoromethyl)-2,3-dihydro-1H-pyrrol-3-yl]benzamide?
Yes, KEHONG BIO provides custom synthesis services for 3-chloro-N-[4-cyano-5-methyl-2-oxo-3-(trifluoromethyl)-2,3-dihydro-1H-pyrrol-3-yl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.