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

C20H12F3NO5 — CID 21008452

IUPAC3-(furan-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one
SMILESO=C(C1=C(O)C(=O)N(c2cccc(C(F)(F)F)c2)C1c1ccco1)c1ccco1
InChIInChI=1S/C20H12F3NO5/c21-20(22,23)11-4-1-5-12(10-11)24-16(13-6-2-8-28-13)15(18(26)19(24)27)17(25)14-7-3-9-29-14/h1-10,16,26H
InChIKeyQJNDAVKMLSFYAG-UHFFFAOYSA-N
MW403.31 g/mol
LogP4.67
Rot. Bonds4

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

3-(furan-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one (PubChem CID 21008452) has the molecular formula C20H12F3NO5 and a molecular weight of 403.31 g/mol. Its IUPAC name is 3-(furan-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-(furan-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one
PubChem CID21008452
Molecular FormulaC20H12F3NO5
Molecular Weight403.31 g/mol
Exact Mass403.07
IUPAC Name3-(furan-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one
SMILESO=C(C1=C(O)C(=O)N(c2cccc(C(F)(F)F)c2)C1c1ccco1)c1ccco1
InChIInChI=1S/C20H12F3NO5/c21-20(22,23)11-4-1-5-12(10-11)24-16(13-6-2-8-28-13)15(18(26)19(24)27)17(25)14-7-3-9-29-14/h1-10,16,26H
InChIKeyQJNDAVKMLSFYAG-UHFFFAOYSA-N
XLogP4.67
TPSA83.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.31
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-bromophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one
CID 21008455
2-(furan-2-yl)-4-hydroxy-3-(2-methylpropanoyl)-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one
CID 108607609
2-(furan-2-yl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one
CID 108607628
2-(3-chloro-4-hydroxy-5-methoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one
CID 21008446
1-(3,5-dimethoxyphenyl)-3-(furan-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-2H-pyrrol-5-one
CID 108606831
3-(furan-2-carbonyl)-4-hydroxy-2-(3-methylphenyl)-1-[4-(trifluoromethyl)phenyl]-2H-pyrrol-5-one
CID 108670553
1-(3-bromophenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-phenyl-2H-pyrrol-5-one
CID 108678293
2-(4-chlorophenyl)-1-(3-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-2H-pyrrol-5-one
CID 108600026
2-(furan-2-yl)-4-hydroxy-3-(3-phenylpropanoyl)-1-[4-(trifluoromethyl)phenyl]-2H-pyrrol-5-one
CID 108607974
3-(furan-2-carbonyl)-4-hydroxy-2-(4-hydroxyphenyl)-1-(3-methylphenyl)-2H-pyrrol-5-one
CID 108616568
1-(3-chlorophenyl)-2-(2-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-2H-pyrrol-5-one
CID 108602937
(2R)-3-(furan-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-2H-pyrrol-5-one
CID 7697036

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one?
The IUPAC name of 3-(furan-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one (CID 21008452) is 3-(furan-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one.
What is the SMILES notation for 3-(furan-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one?
The canonical SMILES for 3-(furan-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one is O=C(C1=C(O)C(=O)N(c2cccc(C(F)(F)F)c2)C1c1ccco1)c1ccco1.
What is the InChIKey of 3-(furan-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one?
The InChIKey is QJNDAVKMLSFYAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F3NO5/c21-20(22,23)11-4-1-5-12(10-11)24-16(13-6-2-8-28-13)15(18(26)19(24)27)17(25)14-7-3-9-29-14/h1-10,16,26H.
What are the key properties of 3-(furan-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one?
3-(furan-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one has a molecular weight of 403.31 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one is sourced from PubChem (CID 21008452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).