(E)-N-(o-tolyl)-1-(4,4,4-trifluoro-3-oxobut-1-en-1-yl)pyrrolidine-2-carboxamide
TL;DR: (E)-N-(o-tolyl)-1-(4,4,4-trifluoro-3-oxobut-1-en-1-yl)pyrrolidine-2-carboxamide (CAS 1164123-94-7) is a chemical compound with molecular formula C16H17F3N2O2 and molecular weight 326.1242 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(2-methylphenyl)-1-[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]pyrrolidine-2-carboxamide
Also Known As: (E)-N-(o-tolyl)-1-(4,4,4-trifluoro-3-oxobut-1-en-1-yl)pyrrolidine-2-carboxamide, F0626-0002, N-(2-methylphenyl)-1-[(1E)-4,4,4-trifluoro-3-oxobut-1-en-1-yl]pyrrolidine-2-carboxamide, N-(2-methylphenyl)-1-[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]pyrrolidine-2-carboxamide
Technical Specifications
| Molecular Formula | C16H17F3N2O2 |
| Molecular Weight | 326.1242 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 49.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 326.1242 Da |
| Heavy Atoms | 23 |
| Complexity | 476.0 |
| SMILES | CC1=CC=CC=C1NC(=O)C2CCCN2/C=C/C(=O)C(F)(F)F |
| InChIKey | MEHHQQRKKPKTMC-CSKARUKUSA-N |
Chemical Property Profile of (E)-N-(o-tolyl)-1-(4,4,4-trifluoro-3-oxobut-1-en-1-yl)pyrrolidine-2-carboxamide
Property Insights of (E)-N-(o-tolyl)-1-(4,4,4-trifluoro-3-oxobut-1-en-1-yl)pyrrolidine-2-carboxamide
The XLogP value of 3.2 indicates that (E)-N-(o-tolyl)-1-(4,4,4-trifluoro-3-oxobut-1-en-1-yl)pyrrolidine-2-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.4 Ų, (E)-N-(o-tolyl)-1-(4,4,4-trifluoro-3-oxobut-1-en-1-yl)pyrrolidine-2-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-N-(o-tolyl)-1-(4,4,4-trifluoro-3-oxobut-1-en-1-yl)pyrrolidine-2-carboxamide has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (E)-N-(o-tolyl)-1-(4,4,4-trifluoro-3-oxobut-1-en-1-yl)pyrrolidine-2-carboxamide?
The CAS number of (E)-N-(o-tolyl)-1-(4,4,4-trifluoro-3-oxobut-1-en-1-yl)pyrrolidine-2-carboxamide is 1164123-94-7.
What is the molecular formula of (E)-N-(o-tolyl)-1-(4,4,4-trifluoro-3-oxobut-1-en-1-yl)pyrrolidine-2-carboxamide?
The molecular formula of (E)-N-(o-tolyl)-1-(4,4,4-trifluoro-3-oxobut-1-en-1-yl)pyrrolidine-2-carboxamide is C16H17F3N2O2.
What is the molecular weight of (E)-N-(o-tolyl)-1-(4,4,4-trifluoro-3-oxobut-1-en-1-yl)pyrrolidine-2-carboxamide?
The molecular weight of (E)-N-(o-tolyl)-1-(4,4,4-trifluoro-3-oxobut-1-en-1-yl)pyrrolidine-2-carboxamide is 326.1242 g/mol.
Where can I buy (E)-N-(o-tolyl)-1-(4,4,4-trifluoro-3-oxobut-1-en-1-yl)pyrrolidine-2-carboxamide?
You can request a quote for (E)-N-(o-tolyl)-1-(4,4,4-trifluoro-3-oxobut-1-en-1-yl)pyrrolidine-2-carboxamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (E)-N-(o-tolyl)-1-(4,4,4-trifluoro-3-oxobut-1-en-1-yl)pyrrolidine-2-carboxamide?
Yes, CoreyChem provides custom synthesis services for (E)-N-(o-tolyl)-1-(4,4,4-trifluoro-3-oxobut-1-en-1-yl)pyrrolidine-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.