N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide

C23H21F3N2O3 — CID 26713686

About N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide

N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide (PubChem CID 26713686) has the molecular formula C23H21F3N2O3 and a molecular weight of 430.43 g/mol. Its IUPAC name is N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
• PubChem CID: 26713686
• Molecular Formula: C23H21F3N2O3
• Molecular Weight: 430.43 g/mol
• Exact Mass: 430.15
• IUPAC Name: N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
• SMILES: Cc1cc(C)c(NC(=O)CNC(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)c(C)c1
• InChI: InChI=1S/C23H21F3N2O3/c1-13-9-14(2)21(15(3)10-13)28-20(29)12-27-22(30)19-8-7-18(31-19)16-5-4-6-17(11-16)23(24,25)26/h4-11H,12H2,1-3H3,(H,27,30)(H,28,29)
• InChIKey: NUWMPZSDUOGINP-UHFFFAOYSA-N
• XLogP: 5.26
• TPSA: 71.34 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	430.43
LogP ≤ 5	5.26
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide?

The IUPAC name of N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide (CID 26713686) is N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide.

What is the SMILES notation for N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide?

The canonical SMILES for N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide is Cc1cc(C)c(NC(=O)CNC(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)c(C)c1.

What is the InChIKey of N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide?

The InChIKey is NUWMPZSDUOGINP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N2O3/c1-13-9-14(2)21(15(3)10-13)28-20(29)12-27-22(30)19-8-7-18(31-19)16-5-4-6-17(11-16)23(24,25)26/h4-11H,12H2,1-3H3,(H,27,30)(H,28,29).

What are the key properties of N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide?

N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide has a molecular weight of 430.43 g/mol, XLogP of 5.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 26713686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).