3-hydroxy-5-oxo-N-[4-(trifluoromethyl)phenyl]-2H-furan-4-carboxamide

C12H8F3NO4 — CID 54712966

IUPAC3-hydroxy-5-oxo-N-[4-(trifluoromethyl)phenyl]-2H-furan-4-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)C1=C(O)COC1=O
InChIInChI=1S/C12H8F3NO4/c13-12(14,15)6-1-3-7(4-2-6)16-10(18)9-8(17)5-20-11(9)19/h1-4,17H,5H2,(H,16,18)
InChIKeyTXILDMATZKAMHJ-UHFFFAOYSA-N
MW287.19 g/mol
LogP2.01
Rot. Bonds2

About 3-hydroxy-5-oxo-N-[4-(trifluoromethyl)phenyl]-2H-furan-4-carboxamide

3-hydroxy-5-oxo-N-[4-(trifluoromethyl)phenyl]-2H-furan-4-carboxamide (PubChem CID 54712966) has the molecular formula C12H8F3NO4 and a molecular weight of 287.19 g/mol. Its IUPAC name is 3-hydroxy-5-oxo-N-[4-(trifluoromethyl)phenyl]-2H-furan-4-carboxamide.

Molecular Properties

Compound Name3-hydroxy-5-oxo-N-[4-(trifluoromethyl)phenyl]-2H-furan-4-carboxamide
PubChem CID54712966
Molecular FormulaC12H8F3NO4
Molecular Weight287.19 g/mol
Exact Mass287.04
IUPAC Name3-hydroxy-5-oxo-N-[4-(trifluoromethyl)phenyl]-2H-furan-4-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)C1=C(O)COC1=O
InChIInChI=1S/C12H8F3NO4/c13-12(14,15)6-1-3-7(4-2-6)16-10(18)9-8(17)5-20-11(9)19/h1-4,17H,5H2,(H,16,18)
InChIKeyTXILDMATZKAMHJ-UHFFFAOYSA-N
XLogP2.01
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.19
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-5-oxo-N-[4-(trifluoromethyl)phenyl]-2H-furan-4-carboxamide?
The IUPAC name of 3-hydroxy-5-oxo-N-[4-(trifluoromethyl)phenyl]-2H-furan-4-carboxamide (CID 54712966) is 3-hydroxy-5-oxo-N-[4-(trifluoromethyl)phenyl]-2H-furan-4-carboxamide.
What is the SMILES notation for 3-hydroxy-5-oxo-N-[4-(trifluoromethyl)phenyl]-2H-furan-4-carboxamide?
The canonical SMILES for 3-hydroxy-5-oxo-N-[4-(trifluoromethyl)phenyl]-2H-furan-4-carboxamide is O=C(Nc1ccc(C(F)(F)F)cc1)C1=C(O)COC1=O.
What is the InChIKey of 3-hydroxy-5-oxo-N-[4-(trifluoromethyl)phenyl]-2H-furan-4-carboxamide?
The InChIKey is TXILDMATZKAMHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3NO4/c13-12(14,15)6-1-3-7(4-2-6)16-10(18)9-8(17)5-20-11(9)19/h1-4,17H,5H2,(H,16,18).
What are the key properties of 3-hydroxy-5-oxo-N-[4-(trifluoromethyl)phenyl]-2H-furan-4-carboxamide?
3-hydroxy-5-oxo-N-[4-(trifluoromethyl)phenyl]-2H-furan-4-carboxamide has a molecular weight of 287.19 g/mol, XLogP of 2.01, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-5-oxo-N-[4-(trifluoromethyl)phenyl]-2H-furan-4-carboxamide is sourced from PubChem (CID 54712966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).