5-[(E)-C-(2,4-difluorophenyl)-N-hydroxycarbonimidoyl]-1-(2,6-dimethylphenyl)pyridin-2-one

C20H16F2N2O2 — CID 87741851

IUPAC5-[(E)-C-(2,4-difluorophenyl)-N-hydroxycarbonimidoyl]-1-(2,6-dimethylphenyl)pyridin-2-one
SMILESCc1cccc(C)c1-n1cc(/C(=N\O)c2ccc(F)cc2F)ccc1=O
InChIInChI=1S/C20H16F2N2O2/c1-12-4-3-5-13(2)20(12)24-11-14(6-9-18(24)25)19(23-26)16-8-7-15(21)10-17(16)22/h3-11,26H,1-2H3/b23-19+
InChIKeyILLCQZHTCISTSZ-FCDQGJHFSA-N
MW354.36 g/mol
LogP3.96
Rot. Bonds3

About 5-[(E)-C-(2,4-difluorophenyl)-N-hydroxycarbonimidoyl]-1-(2,6-dimethylphenyl)pyridin-2-one

5-[(E)-C-(2,4-difluorophenyl)-N-hydroxycarbonimidoyl]-1-(2,6-dimethylphenyl)pyridin-2-one (PubChem CID 87741851) has the molecular formula C20H16F2N2O2 and a molecular weight of 354.36 g/mol. Its IUPAC name is 5-[(E)-C-(2,4-difluorophenyl)-N-hydroxycarbonimidoyl]-1-(2,6-dimethylphenyl)pyridin-2-one.

Molecular Properties

Compound Name5-[(E)-C-(2,4-difluorophenyl)-N-hydroxycarbonimidoyl]-1-(2,6-dimethylphenyl)pyridin-2-one
PubChem CID87741851
Molecular FormulaC20H16F2N2O2
Molecular Weight354.36 g/mol
Exact Mass354.12
IUPAC Name5-[(E)-C-(2,4-difluorophenyl)-N-hydroxycarbonimidoyl]-1-(2,6-dimethylphenyl)pyridin-2-one
SMILESCc1cccc(C)c1-n1cc(/C(=N\O)c2ccc(F)cc2F)ccc1=O
InChIInChI=1S/C20H16F2N2O2/c1-12-4-3-5-13(2)20(12)24-11-14(6-9-18(24)25)19(23-26)16-8-7-15(21)10-17(16)22/h3-11,26H,1-2H3/b23-19+
InChIKeyILLCQZHTCISTSZ-FCDQGJHFSA-N
XLogP3.96
TPSA54.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(2,6-difluorophenyl)-5-[2-(2,4-difluorophenyl)-2-hydroxyiminoacetyl]pyridin-2-one
CID 140546313
1-(2-chloro-6-methylphenyl)-5-[(Z)-C-(2,4-difluorophenyl)-N-piperidin-4-yloxycarbonimidoyl]pyridin-2-one
CID 11547063
1-(2,6-dichlorophenyl)-5-[(Z)-C-(2,4-difluorophenyl)-N-[(5-methyl-1,2-oxazol-3-yl)methoxy]carbonimidoyl]pyridin-2-one
CID 87740436
1-(2,6-dichlorophenyl)-5-(4-fluoro-2-methylbenzoyl)pyridin-2-one
CID 69242900
2-[(E)-[[1-(2,6-dichlorophenyl)-6-oxo-3-pyridinyl]-(2,4-difluorophenyl)methylidene]amino]oxyacetamide
CID 87740071
1-(2,6-dichlorophenyl)-5-[(Z)-C-(2,4-difluorophenyl)-N-phenylmethoxycarbonimidoyl]pyridin-2-one
CID 87741793
5-[N-(1-acetylpiperidin-4-yl)oxy-C-(2,4-difluorophenyl)carbonimidoyl]-1-(2,6-dichlorophenyl)pyridin-2-one
CID 91580154
5-[(E)-N-[(6-amino-2-pyridinyl)methoxy]-C-(2,4-difluorophenyl)carbonimidoyl]-1-(2,6-dichlorophenyl)pyridin-2-one
CID 87741954
1-(2,6-dichlorophenyl)-5-[C-(2,4-difluorophenyl)-N-piperidin-4-yloxycarbonimidoyl]pyridin-2-one
CID 74337376
1-(2,6-dichlorophenyl)-5-[(Z)-C-(2,4-difluorophenyl)-N-[(1-methylimidazol-2-yl)methoxy]carbonimidoyl]pyridin-2-one
CID 87741513
1-(2,6-dichlorophenyl)-5-[C-(2,4-difluorophenyl)-N-piperidin-3-yloxycarbonimidoyl]pyridin-2-one
CID 173149541
1-(2,6-dichlorophenyl)-5-[C-(2,4-difluorophenyl)-N-[(3S)-piperidin-3-yl]oxycarbonimidoyl]pyridin-2-one
CID 87740497

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-C-(2,4-difluorophenyl)-N-hydroxycarbonimidoyl]-1-(2,6-dimethylphenyl)pyridin-2-one?
The IUPAC name of 5-[(E)-C-(2,4-difluorophenyl)-N-hydroxycarbonimidoyl]-1-(2,6-dimethylphenyl)pyridin-2-one (CID 87741851) is 5-[(E)-C-(2,4-difluorophenyl)-N-hydroxycarbonimidoyl]-1-(2,6-dimethylphenyl)pyridin-2-one.
What is the SMILES notation for 5-[(E)-C-(2,4-difluorophenyl)-N-hydroxycarbonimidoyl]-1-(2,6-dimethylphenyl)pyridin-2-one?
The canonical SMILES for 5-[(E)-C-(2,4-difluorophenyl)-N-hydroxycarbonimidoyl]-1-(2,6-dimethylphenyl)pyridin-2-one is Cc1cccc(C)c1-n1cc(/C(=N\O)c2ccc(F)cc2F)ccc1=O.
What is the InChIKey of 5-[(E)-C-(2,4-difluorophenyl)-N-hydroxycarbonimidoyl]-1-(2,6-dimethylphenyl)pyridin-2-one?
The InChIKey is ILLCQZHTCISTSZ-FCDQGJHFSA-N. The full InChI is InChI=1S/C20H16F2N2O2/c1-12-4-3-5-13(2)20(12)24-11-14(6-9-18(24)25)19(23-26)16-8-7-15(21)10-17(16)22/h3-11,26H,1-2H3/b23-19+.
What are the key properties of 5-[(E)-C-(2,4-difluorophenyl)-N-hydroxycarbonimidoyl]-1-(2,6-dimethylphenyl)pyridin-2-one?
5-[(E)-C-(2,4-difluorophenyl)-N-hydroxycarbonimidoyl]-1-(2,6-dimethylphenyl)pyridin-2-one has a molecular weight of 354.36 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-C-(2,4-difluorophenyl)-N-hydroxycarbonimidoyl]-1-(2,6-dimethylphenyl)pyridin-2-one is sourced from PubChem (CID 87741851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).