N-[4-[3-(2,4-dimethylphenyl)propanoylamino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide

C23H21F3N2O3 — CID 18273140

About N-[4-[3-(2,4-dimethylphenyl)propanoylamino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide

N-[4-[3-(2,4-dimethylphenyl)propanoylamino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide (PubChem CID 18273140) has the molecular formula C23H21F3N2O3 and a molecular weight of 430.43 g/mol. Its IUPAC name is N-[4-[3-(2,4-dimethylphenyl)propanoylamino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-[3-(2,4-dimethylphenyl)propanoylamino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
• PubChem CID: 18273140
• Molecular Formula: C23H21F3N2O3
• Molecular Weight: 430.43 g/mol
• Exact Mass: 430.15
• IUPAC Name: N-[4-[3-(2,4-dimethylphenyl)propanoylamino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
• SMILES: Cc1ccc(CCC(=O)Nc2ccc(NC(=O)c3ccco3)cc2C(F)(F)F)c(C)c1
• InChI: InChI=1S/C23H21F3N2O3/c1-14-5-6-16(15(2)12-14)7-10-21(29)28-19-9-8-17(13-18(19)23(24,25)26)27-22(30)20-4-3-11-31-20/h3-6,8-9,11-13H,7,10H2,1-2H3,(H,27,30)(H,28,29)
• InChIKey: OPDXPGXFCKLZJA-UHFFFAOYSA-N
• XLogP: 5.74
• TPSA: 71.34 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	430.43
LogP ≤ 5	5.74
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(2,4-dimethylphenyl)propanoylamino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide?

The IUPAC name of N-[4-[3-(2,4-dimethylphenyl)propanoylamino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide (CID 18273140) is N-[4-[3-(2,4-dimethylphenyl)propanoylamino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide.

What is the SMILES notation for N-[4-[3-(2,4-dimethylphenyl)propanoylamino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide?

The canonical SMILES for N-[4-[3-(2,4-dimethylphenyl)propanoylamino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide is Cc1ccc(CCC(=O)Nc2ccc(NC(=O)c3ccco3)cc2C(F)(F)F)c(C)c1.

What is the InChIKey of N-[4-[3-(2,4-dimethylphenyl)propanoylamino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide?

The InChIKey is OPDXPGXFCKLZJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N2O3/c1-14-5-6-16(15(2)12-14)7-10-21(29)28-19-9-8-17(13-18(19)23(24,25)26)27-22(30)20-4-3-11-31-20/h3-6,8-9,11-13H,7,10H2,1-2H3,(H,27,30)(H,28,29).

What are the key properties of N-[4-[3-(2,4-dimethylphenyl)propanoylamino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide?

N-[4-[3-(2,4-dimethylphenyl)propanoylamino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide has a molecular weight of 430.43 g/mol, XLogP of 5.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[3-(2,4-dimethylphenyl)propanoylamino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 18273140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).