5-(2-chlorophenyl)-6-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]-1-ethyl-3-methylpyridin-2-one

C23H22ClF2NO3 — CID 142452805

IUPAC5-(2-chlorophenyl)-6-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]-1-ethyl-3-methylpyridin-2-one
SMILESCCn1c(-c2c(F)cc(OCCOC)cc2F)c(-c2ccccc2Cl)cc(C)c1=O
InChIInChI=1S/C23H22ClF2NO3/c1-4-27-22(21-19(25)12-15(13-20(21)26)30-10-9-29-3)17(11-14(2)23(27)28)16-7-5-6-8-18(16)24/h5-8,11-13H,4,9-10H2,1-3H3
InChIKeyHMLCFNYXCDJZPE-UHFFFAOYSA-N
MW433.88 g/mol
LogP5.47
Rot. Bonds7

About 5-(2-chlorophenyl)-6-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]-1-ethyl-3-methylpyridin-2-one

5-(2-chlorophenyl)-6-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]-1-ethyl-3-methylpyridin-2-one (PubChem CID 142452805) has the molecular formula C23H22ClF2NO3 and a molecular weight of 433.88 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-6-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]-1-ethyl-3-methylpyridin-2-one.

Molecular Properties

Compound Name5-(2-chlorophenyl)-6-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]-1-ethyl-3-methylpyridin-2-one
PubChem CID142452805
Molecular FormulaC23H22ClF2NO3
Molecular Weight433.88 g/mol
Exact Mass433.13
IUPAC Name5-(2-chlorophenyl)-6-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]-1-ethyl-3-methylpyridin-2-one
SMILESCCn1c(-c2c(F)cc(OCCOC)cc2F)c(-c2ccccc2Cl)cc(C)c1=O
InChIInChI=1S/C23H22ClF2NO3/c1-4-27-22(21-19(25)12-15(13-20(21)26)30-10-9-29-3)17(11-14(2)23(27)28)16-7-5-6-8-18(16)24/h5-8,11-13H,4,9-10H2,1-3H3
InChIKeyHMLCFNYXCDJZPE-UHFFFAOYSA-N
XLogP5.47
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.88
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-6-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]-1-ethyl-3-methylpyridin-2-one?
The IUPAC name of 5-(2-chlorophenyl)-6-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]-1-ethyl-3-methylpyridin-2-one (CID 142452805) is 5-(2-chlorophenyl)-6-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]-1-ethyl-3-methylpyridin-2-one.
What is the SMILES notation for 5-(2-chlorophenyl)-6-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]-1-ethyl-3-methylpyridin-2-one?
The canonical SMILES for 5-(2-chlorophenyl)-6-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]-1-ethyl-3-methylpyridin-2-one is CCn1c(-c2c(F)cc(OCCOC)cc2F)c(-c2ccccc2Cl)cc(C)c1=O.
What is the InChIKey of 5-(2-chlorophenyl)-6-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]-1-ethyl-3-methylpyridin-2-one?
The InChIKey is HMLCFNYXCDJZPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClF2NO3/c1-4-27-22(21-19(25)12-15(13-20(21)26)30-10-9-29-3)17(11-14(2)23(27)28)16-7-5-6-8-18(16)24/h5-8,11-13H,4,9-10H2,1-3H3.
What are the key properties of 5-(2-chlorophenyl)-6-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]-1-ethyl-3-methylpyridin-2-one?
5-(2-chlorophenyl)-6-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]-1-ethyl-3-methylpyridin-2-one has a molecular weight of 433.88 g/mol, XLogP of 5.47, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-6-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]-1-ethyl-3-methylpyridin-2-one is sourced from PubChem (CID 142452805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).