2-(furan-2-yl)-4-hydroxy-3-(2-methylpropanoyl)-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one

C19H16F3NO4 — CID 108607609

IUPAC2-(furan-2-yl)-4-hydroxy-3-(2-methylpropanoyl)-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one
SMILESCC(C)C(=O)C1=C(O)C(=O)N(c2cccc(C(F)(F)F)c2)C1c1ccco1
InChIInChI=1S/C19H16F3NO4/c1-10(2)16(24)14-15(13-7-4-8-27-13)23(18(26)17(14)25)12-6-3-5-11(9-12)19(20,21)22/h3-10,15,25H,1-2H3
InChIKeyXEFQMEQLBXSNFN-UHFFFAOYSA-N
MW379.33 g/mol
LogP4.42
Rot. Bonds4

About 2-(furan-2-yl)-4-hydroxy-3-(2-methylpropanoyl)-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one

2-(furan-2-yl)-4-hydroxy-3-(2-methylpropanoyl)-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one (PubChem CID 108607609) has the molecular formula C19H16F3NO4 and a molecular weight of 379.33 g/mol. Its IUPAC name is 2-(furan-2-yl)-4-hydroxy-3-(2-methylpropanoyl)-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one.

Molecular Properties

Compound Name2-(furan-2-yl)-4-hydroxy-3-(2-methylpropanoyl)-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one
PubChem CID108607609
Molecular FormulaC19H16F3NO4
Molecular Weight379.33 g/mol
Exact Mass379.10
IUPAC Name2-(furan-2-yl)-4-hydroxy-3-(2-methylpropanoyl)-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one
SMILESCC(C)C(=O)C1=C(O)C(=O)N(c2cccc(C(F)(F)F)c2)C1c1ccco1
InChIInChI=1S/C19H16F3NO4/c1-10(2)16(24)14-15(13-7-4-8-27-13)23(18(26)17(14)25)12-6-3-5-11(9-12)19(20,21)22/h3-10,15,25H,1-2H3
InChIKeyXEFQMEQLBXSNFN-UHFFFAOYSA-N
XLogP4.42
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.33
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(furan-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one
CID 21008452
methyl 3-[2-(furan-2-yl)-4-hydroxy-3-(2-methylpropanoyl)-5-oxo-2H-pyrrol-1-yl]benzoate
CID 108607522
2-(furan-2-yl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one
CID 108607628
4-hydroxy-3-(2-methylpropanoyl)-2-(3-methylthiophen-2-yl)-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one
CID 108687219
2-(furan-2-yl)-4-hydroxy-1-(2-hydroxyphenyl)-3-(2-methylpropanoyl)-2H-pyrrol-5-one
CID 108653949
2-(4-bromophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one
CID 21008455
3-acetyl-4-hydroxy-2-phenyl-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one
CID 5236060
2-(3-chloro-4-hydroxy-5-methoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one
CID 21008446
2-(furan-2-yl)-4-hydroxy-3-(3-methylbutanoyl)-1-phenyl-2H-pyrrol-5-one
CID 108654648
4-hydroxy-2-(3-hydroxyphenyl)-3-(3-methylbutanoyl)-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one
CID 108682185
N-[3-[2-(furan-2-yl)-4-hydroxy-3-(3-methylbutanoyl)-5-oxo-2H-pyrrol-1-yl]phenyl]acetamide
CID 108608047
1-cyclopentyl-2-(furan-2-yl)-4-hydroxy-3-(2-methylpropanoyl)-2H-pyrrol-5-one
CID 108657057

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-4-hydroxy-3-(2-methylpropanoyl)-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one?
The IUPAC name of 2-(furan-2-yl)-4-hydroxy-3-(2-methylpropanoyl)-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one (CID 108607609) is 2-(furan-2-yl)-4-hydroxy-3-(2-methylpropanoyl)-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one.
What is the SMILES notation for 2-(furan-2-yl)-4-hydroxy-3-(2-methylpropanoyl)-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one?
The canonical SMILES for 2-(furan-2-yl)-4-hydroxy-3-(2-methylpropanoyl)-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one is CC(C)C(=O)C1=C(O)C(=O)N(c2cccc(C(F)(F)F)c2)C1c1ccco1.
What is the InChIKey of 2-(furan-2-yl)-4-hydroxy-3-(2-methylpropanoyl)-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one?
The InChIKey is XEFQMEQLBXSNFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3NO4/c1-10(2)16(24)14-15(13-7-4-8-27-13)23(18(26)17(14)25)12-6-3-5-11(9-12)19(20,21)22/h3-10,15,25H,1-2H3.
What are the key properties of 2-(furan-2-yl)-4-hydroxy-3-(2-methylpropanoyl)-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one?
2-(furan-2-yl)-4-hydroxy-3-(2-methylpropanoyl)-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one has a molecular weight of 379.33 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-4-hydroxy-3-(2-methylpropanoyl)-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one is sourced from PubChem (CID 108607609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).