5-chloro-1-(4-fluorophenyl)-4-hydroxy-3-phenyl-6-propan-2-ylpyridin-2-one

C20H17ClFNO2 — CID 54679809

IUPAC5-chloro-1-(4-fluorophenyl)-4-hydroxy-3-phenyl-6-propan-2-ylpyridin-2-one
SMILESCC(C)c1c(Cl)c(O)c(-c2ccccc2)c(=O)n1-c1ccc(F)cc1
InChIInChI=1S/C20H17ClFNO2/c1-12(2)18-17(21)19(24)16(13-6-4-3-5-7-13)20(25)23(18)15-10-8-14(22)9-11-15/h3-12,24H,1-2H3
InChIKeyUEACYNBCJMLKEX-UHFFFAOYSA-N
MW357.81 g/mol
LogP5.13
Rot. Bonds3

About 5-chloro-1-(4-fluorophenyl)-4-hydroxy-3-phenyl-6-propan-2-ylpyridin-2-one

5-chloro-1-(4-fluorophenyl)-4-hydroxy-3-phenyl-6-propan-2-ylpyridin-2-one (PubChem CID 54679809) has the molecular formula C20H17ClFNO2 and a molecular weight of 357.81 g/mol. Its IUPAC name is 5-chloro-1-(4-fluorophenyl)-4-hydroxy-3-phenyl-6-propan-2-ylpyridin-2-one.

Molecular Properties

Compound Name5-chloro-1-(4-fluorophenyl)-4-hydroxy-3-phenyl-6-propan-2-ylpyridin-2-one
PubChem CID54679809
Molecular FormulaC20H17ClFNO2
Molecular Weight357.81 g/mol
Exact Mass357.09
IUPAC Name5-chloro-1-(4-fluorophenyl)-4-hydroxy-3-phenyl-6-propan-2-ylpyridin-2-one
SMILESCC(C)c1c(Cl)c(O)c(-c2ccccc2)c(=O)n1-c1ccc(F)cc1
InChIInChI=1S/C20H17ClFNO2/c1-12(2)18-17(21)19(24)16(13-6-4-3-5-7-13)20(25)23(18)15-10-8-14(22)9-11-15/h3-12,24H,1-2H3
InChIKeyUEACYNBCJMLKEX-UHFFFAOYSA-N
XLogP5.13
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.81
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(4-fluorophenyl)-4-hydroxy-3-phenyl-6-propan-2-ylpyridin-2-one?
The IUPAC name of 5-chloro-1-(4-fluorophenyl)-4-hydroxy-3-phenyl-6-propan-2-ylpyridin-2-one (CID 54679809) is 5-chloro-1-(4-fluorophenyl)-4-hydroxy-3-phenyl-6-propan-2-ylpyridin-2-one.
What is the SMILES notation for 5-chloro-1-(4-fluorophenyl)-4-hydroxy-3-phenyl-6-propan-2-ylpyridin-2-one?
The canonical SMILES for 5-chloro-1-(4-fluorophenyl)-4-hydroxy-3-phenyl-6-propan-2-ylpyridin-2-one is CC(C)c1c(Cl)c(O)c(-c2ccccc2)c(=O)n1-c1ccc(F)cc1.
What is the InChIKey of 5-chloro-1-(4-fluorophenyl)-4-hydroxy-3-phenyl-6-propan-2-ylpyridin-2-one?
The InChIKey is UEACYNBCJMLKEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClFNO2/c1-12(2)18-17(21)19(24)16(13-6-4-3-5-7-13)20(25)23(18)15-10-8-14(22)9-11-15/h3-12,24H,1-2H3.
What are the key properties of 5-chloro-1-(4-fluorophenyl)-4-hydroxy-3-phenyl-6-propan-2-ylpyridin-2-one?
5-chloro-1-(4-fluorophenyl)-4-hydroxy-3-phenyl-6-propan-2-ylpyridin-2-one has a molecular weight of 357.81 g/mol, XLogP of 5.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(4-fluorophenyl)-4-hydroxy-3-phenyl-6-propan-2-ylpyridin-2-one is sourced from PubChem (CID 54679809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).