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

C24H18F3NO4 — CID 108607974

IUPAC2-(furan-2-yl)-4-hydroxy-3-(3-phenylpropanoyl)-1-[4-(trifluoromethyl)phenyl]-2H-pyrrol-5-one
SMILESO=C(CCc1ccccc1)C1=C(O)C(=O)N(c2ccc(C(F)(F)F)cc2)C1c1ccco1
InChIInChI=1S/C24H18F3NO4/c25-24(26,27)16-9-11-17(12-10-16)28-21(19-7-4-14-32-19)20(22(30)23(28)31)18(29)13-8-15-5-2-1-3-6-15/h1-7,9-12,14,21,30H,8,13H2
InChIKeyYFHWXGXNHJEESW-UHFFFAOYSA-N
MW441.41 g/mol
LogP5.40
Rot. Bonds6

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

2-(furan-2-yl)-4-hydroxy-3-(3-phenylpropanoyl)-1-[4-(trifluoromethyl)phenyl]-2H-pyrrol-5-one (PubChem CID 108607974) has the molecular formula C24H18F3NO4 and a molecular weight of 441.41 g/mol. Its IUPAC name is 2-(furan-2-yl)-4-hydroxy-3-(3-phenylpropanoyl)-1-[4-(trifluoromethyl)phenyl]-2H-pyrrol-5-one.

Molecular Properties

Compound Name2-(furan-2-yl)-4-hydroxy-3-(3-phenylpropanoyl)-1-[4-(trifluoromethyl)phenyl]-2H-pyrrol-5-one
PubChem CID108607974
Molecular FormulaC24H18F3NO4
Molecular Weight441.41 g/mol
Exact Mass441.12
IUPAC Name2-(furan-2-yl)-4-hydroxy-3-(3-phenylpropanoyl)-1-[4-(trifluoromethyl)phenyl]-2H-pyrrol-5-one
SMILESO=C(CCc1ccccc1)C1=C(O)C(=O)N(c2ccc(C(F)(F)F)cc2)C1c1ccco1
InChIInChI=1S/C24H18F3NO4/c25-24(26,27)16-9-11-17(12-10-16)28-21(19-7-4-14-32-19)20(22(30)23(28)31)18(29)13-8-15-5-2-1-3-6-15/h1-7,9-12,14,21,30H,8,13H2
InChIKeyYFHWXGXNHJEESW-UHFFFAOYSA-N
XLogP5.40
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.41
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(furan-2-yl)-4-hydroxy-1-[4-(4-methylpiperidin-1-yl)phenyl]-3-(3-phenylpropanoyl)-2H-pyrrol-5-one
CID 108685584
3-(furan-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one
CID 21008452
2-(furan-2-yl)-4-hydroxy-3-(3-methylbutanoyl)-1-phenyl-2H-pyrrol-5-one
CID 108654648
2-(4-fluorophenyl)-4-hydroxy-3-(3-phenylpropanoyl)-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one
CID 108679422
1-(4-chlorophenyl)-2-(furan-2-yl)-4-hydroxy-3-propanoyl-2H-pyrrol-5-one
CID 108654732
1-(4-tert-butylphenyl)-2-[4-(dimethylamino)phenyl]-4-hydroxy-3-(3-phenylpropanoyl)-2H-pyrrol-5-one
CID 108705734
2-[4-[2-(furan-2-yl)-4-hydroxy-3-(3-methylbutanoyl)-5-oxo-2H-pyrrol-1-yl]phenyl]acetic acid
CID 108607699
4-hydroxy-1-phenyl-3-(3-phenylpropanoyl)-2-thiophen-2-yl-2H-pyrrol-5-one
CID 108622966
1-(4-fluorophenyl)-4-hydroxy-2-(3-hydroxyphenyl)-3-(3-phenylpropanoyl)-2H-pyrrol-5-one
CID 108647226
4-hydroxy-2-(3-hydroxyphenyl)-1-phenyl-3-(3-phenylpropanoyl)-2H-pyrrol-5-one
CID 108647487
2-(furan-2-yl)-4-hydroxy-1-(4-methoxyphenyl)-3-(3-methylbutanoyl)-2H-pyrrol-5-one
CID 108654214
3-(furan-2-carbonyl)-4-hydroxy-2-(3-methylphenyl)-1-[4-(trifluoromethyl)phenyl]-2H-pyrrol-5-one
CID 108670553

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-4-hydroxy-3-(3-phenylpropanoyl)-1-[4-(trifluoromethyl)phenyl]-2H-pyrrol-5-one?
The IUPAC name of 2-(furan-2-yl)-4-hydroxy-3-(3-phenylpropanoyl)-1-[4-(trifluoromethyl)phenyl]-2H-pyrrol-5-one (CID 108607974) is 2-(furan-2-yl)-4-hydroxy-3-(3-phenylpropanoyl)-1-[4-(trifluoromethyl)phenyl]-2H-pyrrol-5-one.
What is the SMILES notation for 2-(furan-2-yl)-4-hydroxy-3-(3-phenylpropanoyl)-1-[4-(trifluoromethyl)phenyl]-2H-pyrrol-5-one?
The canonical SMILES for 2-(furan-2-yl)-4-hydroxy-3-(3-phenylpropanoyl)-1-[4-(trifluoromethyl)phenyl]-2H-pyrrol-5-one is O=C(CCc1ccccc1)C1=C(O)C(=O)N(c2ccc(C(F)(F)F)cc2)C1c1ccco1.
What is the InChIKey of 2-(furan-2-yl)-4-hydroxy-3-(3-phenylpropanoyl)-1-[4-(trifluoromethyl)phenyl]-2H-pyrrol-5-one?
The InChIKey is YFHWXGXNHJEESW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F3NO4/c25-24(26,27)16-9-11-17(12-10-16)28-21(19-7-4-14-32-19)20(22(30)23(28)31)18(29)13-8-15-5-2-1-3-6-15/h1-7,9-12,14,21,30H,8,13H2.
What are the key properties of 2-(furan-2-yl)-4-hydroxy-3-(3-phenylpropanoyl)-1-[4-(trifluoromethyl)phenyl]-2H-pyrrol-5-one?
2-(furan-2-yl)-4-hydroxy-3-(3-phenylpropanoyl)-1-[4-(trifluoromethyl)phenyl]-2H-pyrrol-5-one has a molecular weight of 441.41 g/mol, XLogP of 5.40, 6 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-(3-phenylpropanoyl)-1-[4-(trifluoromethyl)phenyl]-2H-pyrrol-5-one is sourced from PubChem (CID 108607974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).