N-[4-(furan-2-carbonylamino)-2-(trifluoromethyl)phenyl]-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide

C26H24F3N3O4 — CID 43053983

About N-[4-(furan-2-carbonylamino)-2-(trifluoromethyl)phenyl]-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide

N-[4-(furan-2-carbonylamino)-2-(trifluoromethyl)phenyl]-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide (PubChem CID 43053983) has the molecular formula C26H24F3N3O4 and a molecular weight of 499.49 g/mol. Its IUPAC name is N-[4-(furan-2-carbonylamino)-2-(trifluoromethyl)phenyl]-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[4-(furan-2-carbonylamino)-2-(trifluoromethyl)phenyl]-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide
• PubChem CID: 43053983
• Molecular Formula: C26H24F3N3O4
• Molecular Weight: 499.49 g/mol
• Exact Mass: 499.17
• IUPAC Name: N-[4-(furan-2-carbonylamino)-2-(trifluoromethyl)phenyl]-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide
• SMILES: CC(C)c1cccc(N2CC(C(=O)Nc3ccc(NC(=O)c4ccco4)cc3C(F)(F)F)CC2=O)c1
• InChI: InChI=1S/C26H24F3N3O4/c1-15(2)16-5-3-6-19(11-16)32-14-17(12-23(32)33)24(34)31-21-9-8-18(13-20(21)26(27,28)29)30-25(35)22-7-4-10-36-22/h3-11,13,15,17H,12,14H2,1-2H3,(H,30,35)(H,31,34)
• InChIKey: GOEBMVFCALDKPM-UHFFFAOYSA-N
• XLogP: 5.67
• TPSA: 91.65 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	499.49
LogP ≤ 5	5.67
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[4-(furan-2-carbonylamino)-2-(trifluoromethyl)phenyl]-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide?

The IUPAC name of N-[4-(furan-2-carbonylamino)-2-(trifluoromethyl)phenyl]-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide (CID 43053983) is N-[4-(furan-2-carbonylamino)-2-(trifluoromethyl)phenyl]-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide.

What is the SMILES notation for N-[4-(furan-2-carbonylamino)-2-(trifluoromethyl)phenyl]-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide?

The canonical SMILES for N-[4-(furan-2-carbonylamino)-2-(trifluoromethyl)phenyl]-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide is CC(C)c1cccc(N2CC(C(=O)Nc3ccc(NC(=O)c4ccco4)cc3C(F)(F)F)CC2=O)c1.

What is the InChIKey of N-[4-(furan-2-carbonylamino)-2-(trifluoromethyl)phenyl]-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide?

The InChIKey is GOEBMVFCALDKPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F3N3O4/c1-15(2)16-5-3-6-19(11-16)32-14-17(12-23(32)33)24(34)31-21-9-8-18(13-20(21)26(27,28)29)30-25(35)22-7-4-10-36-22/h3-11,13,15,17H,12,14H2,1-2H3,(H,30,35)(H,31,34).

What are the key properties of N-[4-(furan-2-carbonylamino)-2-(trifluoromethyl)phenyl]-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide?

N-[4-(furan-2-carbonylamino)-2-(trifluoromethyl)phenyl]-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide has a molecular weight of 499.49 g/mol, XLogP of 5.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(furan-2-carbonylamino)-2-(trifluoromethyl)phenyl]-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 43053983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).