4-(3,4-difluorophenyl)-3-hydroxy-1-(2-methylpropyl)-2-phenyl-2H-pyrrol-5-one

C20H19F2NO2 — CID 54728530

IUPAC4-(3,4-difluorophenyl)-3-hydroxy-1-(2-methylpropyl)-2-phenyl-2H-pyrrol-5-one
SMILESCC(C)CN1C(=O)C(c2ccc(F)c(F)c2)=C(O)C1c1ccccc1
InChIInChI=1S/C20H19F2NO2/c1-12(2)11-23-18(13-6-4-3-5-7-13)19(24)17(20(23)25)14-8-9-15(21)16(22)10-14/h3-10,12,18,24H,11H2,1-2H3
InChIKeyVPYHAOJKKWYIJU-UHFFFAOYSA-N
MW343.37 g/mol
LogP4.47
Rot. Bonds4

About 4-(3,4-difluorophenyl)-3-hydroxy-1-(2-methylpropyl)-2-phenyl-2H-pyrrol-5-one

4-(3,4-difluorophenyl)-3-hydroxy-1-(2-methylpropyl)-2-phenyl-2H-pyrrol-5-one (PubChem CID 54728530) has the molecular formula C20H19F2NO2 and a molecular weight of 343.37 g/mol. Its IUPAC name is 4-(3,4-difluorophenyl)-3-hydroxy-1-(2-methylpropyl)-2-phenyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name4-(3,4-difluorophenyl)-3-hydroxy-1-(2-methylpropyl)-2-phenyl-2H-pyrrol-5-one
PubChem CID54728530
Molecular FormulaC20H19F2NO2
Molecular Weight343.37 g/mol
Exact Mass343.14
IUPAC Name4-(3,4-difluorophenyl)-3-hydroxy-1-(2-methylpropyl)-2-phenyl-2H-pyrrol-5-one
SMILESCC(C)CN1C(=O)C(c2ccc(F)c(F)c2)=C(O)C1c1ccccc1
InChIInChI=1S/C20H19F2NO2/c1-12(2)11-23-18(13-6-4-3-5-7-13)19(24)17(20(23)25)14-8-9-15(21)16(22)10-14/h3-10,12,18,24H,11H2,1-2H3
InChIKeyVPYHAOJKKWYIJU-UHFFFAOYSA-N
XLogP4.47
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.37
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-difluorophenyl)-3-hydroxy-1-(2-methylpropyl)-2-phenyl-2H-pyrrol-5-one?
The IUPAC name of 4-(3,4-difluorophenyl)-3-hydroxy-1-(2-methylpropyl)-2-phenyl-2H-pyrrol-5-one (CID 54728530) is 4-(3,4-difluorophenyl)-3-hydroxy-1-(2-methylpropyl)-2-phenyl-2H-pyrrol-5-one.
What is the SMILES notation for 4-(3,4-difluorophenyl)-3-hydroxy-1-(2-methylpropyl)-2-phenyl-2H-pyrrol-5-one?
The canonical SMILES for 4-(3,4-difluorophenyl)-3-hydroxy-1-(2-methylpropyl)-2-phenyl-2H-pyrrol-5-one is CC(C)CN1C(=O)C(c2ccc(F)c(F)c2)=C(O)C1c1ccccc1.
What is the InChIKey of 4-(3,4-difluorophenyl)-3-hydroxy-1-(2-methylpropyl)-2-phenyl-2H-pyrrol-5-one?
The InChIKey is VPYHAOJKKWYIJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2NO2/c1-12(2)11-23-18(13-6-4-3-5-7-13)19(24)17(20(23)25)14-8-9-15(21)16(22)10-14/h3-10,12,18,24H,11H2,1-2H3.
What are the key properties of 4-(3,4-difluorophenyl)-3-hydroxy-1-(2-methylpropyl)-2-phenyl-2H-pyrrol-5-one?
4-(3,4-difluorophenyl)-3-hydroxy-1-(2-methylpropyl)-2-phenyl-2H-pyrrol-5-one has a molecular weight of 343.37 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-difluorophenyl)-3-hydroxy-1-(2-methylpropyl)-2-phenyl-2H-pyrrol-5-one is sourced from PubChem (CID 54728530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).