5-(2-chloro-3,5-difluorophenyl)-1-ethyl-6-(4-fluorophenyl)-3-methylpyridin-2-one

C20H15ClF3NO — CID 135276093

IUPAC5-(2-chloro-3,5-difluorophenyl)-1-ethyl-6-(4-fluorophenyl)-3-methylpyridin-2-one
SMILESCCn1c(-c2ccc(F)cc2)c(-c2cc(F)cc(F)c2Cl)cc(C)c1=O
InChIInChI=1S/C20H15ClF3NO/c1-3-25-19(12-4-6-13(22)7-5-12)16(8-11(2)20(25)26)15-9-14(23)10-17(24)18(15)21/h4-10H,3H2,1-2H3
InChIKeyLCDXLFDUYDZIHR-UHFFFAOYSA-N
MW377.79 g/mol
LogP5.58
Rot. Bonds3

About 5-(2-chloro-3,5-difluorophenyl)-1-ethyl-6-(4-fluorophenyl)-3-methylpyridin-2-one

5-(2-chloro-3,5-difluorophenyl)-1-ethyl-6-(4-fluorophenyl)-3-methylpyridin-2-one (PubChem CID 135276093) has the molecular formula C20H15ClF3NO and a molecular weight of 377.79 g/mol. Its IUPAC name is 5-(2-chloro-3,5-difluorophenyl)-1-ethyl-6-(4-fluorophenyl)-3-methylpyridin-2-one.

Molecular Properties

Compound Name5-(2-chloro-3,5-difluorophenyl)-1-ethyl-6-(4-fluorophenyl)-3-methylpyridin-2-one
PubChem CID135276093
Molecular FormulaC20H15ClF3NO
Molecular Weight377.79 g/mol
Exact Mass377.08
IUPAC Name5-(2-chloro-3,5-difluorophenyl)-1-ethyl-6-(4-fluorophenyl)-3-methylpyridin-2-one
SMILESCCn1c(-c2ccc(F)cc2)c(-c2cc(F)cc(F)c2Cl)cc(C)c1=O
InChIInChI=1S/C20H15ClF3NO/c1-3-25-19(12-4-6-13(22)7-5-12)16(8-11(2)20(25)26)15-9-14(23)10-17(24)18(15)21/h4-10H,3H2,1-2H3
InChIKeyLCDXLFDUYDZIHR-UHFFFAOYSA-N
XLogP5.58
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.79
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-3,5-difluorophenyl)-1-ethyl-6-(4-fluorophenyl)-3-methylpyridin-2-one?
The IUPAC name of 5-(2-chloro-3,5-difluorophenyl)-1-ethyl-6-(4-fluorophenyl)-3-methylpyridin-2-one (CID 135276093) is 5-(2-chloro-3,5-difluorophenyl)-1-ethyl-6-(4-fluorophenyl)-3-methylpyridin-2-one.
What is the SMILES notation for 5-(2-chloro-3,5-difluorophenyl)-1-ethyl-6-(4-fluorophenyl)-3-methylpyridin-2-one?
The canonical SMILES for 5-(2-chloro-3,5-difluorophenyl)-1-ethyl-6-(4-fluorophenyl)-3-methylpyridin-2-one is CCn1c(-c2ccc(F)cc2)c(-c2cc(F)cc(F)c2Cl)cc(C)c1=O.
What is the InChIKey of 5-(2-chloro-3,5-difluorophenyl)-1-ethyl-6-(4-fluorophenyl)-3-methylpyridin-2-one?
The InChIKey is LCDXLFDUYDZIHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClF3NO/c1-3-25-19(12-4-6-13(22)7-5-12)16(8-11(2)20(25)26)15-9-14(23)10-17(24)18(15)21/h4-10H,3H2,1-2H3.
What are the key properties of 5-(2-chloro-3,5-difluorophenyl)-1-ethyl-6-(4-fluorophenyl)-3-methylpyridin-2-one?
5-(2-chloro-3,5-difluorophenyl)-1-ethyl-6-(4-fluorophenyl)-3-methylpyridin-2-one has a molecular weight of 377.79 g/mol, XLogP of 5.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-3,5-difluorophenyl)-1-ethyl-6-(4-fluorophenyl)-3-methylpyridin-2-one is sourced from PubChem (CID 135276093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).