1-(2,6-dichlorophenyl)-5-[(Z)-C-(2,4-difluorophenyl)-N-phenylmethoxycarbonimidoyl]pyridin-2-one

C25H16Cl2F2N2O2 — CID 87741793

IUPAC1-(2,6-dichlorophenyl)-5-[(Z)-C-(2,4-difluorophenyl)-N-phenylmethoxycarbonimidoyl]pyridin-2-one
SMILESO=c1ccc(/C(=N/OCc2ccccc2)c2ccc(F)cc2F)cn1-c1c(Cl)cccc1Cl
InChIInChI=1S/C25H16Cl2F2N2O2/c26-20-7-4-8-21(27)25(20)31-14-17(9-12-23(31)32)24(19-11-10-18(28)13-22(19)29)30-33-15-16-5-2-1-3-6-16/h1-14H,15H2/b30-24-
InChIKeyXSAPUVLRYYEVST-KRUMMXJUSA-N
MW485.32 g/mol
LogP6.39
Rot. Bonds6

About 1-(2,6-dichlorophenyl)-5-[(Z)-C-(2,4-difluorophenyl)-N-phenylmethoxycarbonimidoyl]pyridin-2-one

1-(2,6-dichlorophenyl)-5-[(Z)-C-(2,4-difluorophenyl)-N-phenylmethoxycarbonimidoyl]pyridin-2-one (PubChem CID 87741793) has the molecular formula C25H16Cl2F2N2O2 and a molecular weight of 485.32 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-5-[(Z)-C-(2,4-difluorophenyl)-N-phenylmethoxycarbonimidoyl]pyridin-2-one.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-5-[(Z)-C-(2,4-difluorophenyl)-N-phenylmethoxycarbonimidoyl]pyridin-2-one
PubChem CID87741793
Molecular FormulaC25H16Cl2F2N2O2
Molecular Weight485.32 g/mol
Exact Mass484.06
IUPAC Name1-(2,6-dichlorophenyl)-5-[(Z)-C-(2,4-difluorophenyl)-N-phenylmethoxycarbonimidoyl]pyridin-2-one
SMILESO=c1ccc(/C(=N/OCc2ccccc2)c2ccc(F)cc2F)cn1-c1c(Cl)cccc1Cl
InChIInChI=1S/C25H16Cl2F2N2O2/c26-20-7-4-8-21(27)25(20)31-14-17(9-12-23(31)32)24(19-11-10-18(28)13-22(19)29)30-33-15-16-5-2-1-3-6-16/h1-14H,15H2/b30-24-
InChIKeyXSAPUVLRYYEVST-KRUMMXJUSA-N
XLogP6.39
TPSA43.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.32
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(2,6-dichlorophenyl)-5-[(Z)-C-(2,4-difluorophenyl)-N-phenylmethoxycarbonimidoyl]pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-5-[(Z)-C-(2,4-difluorophenyl)-N-phenylmethoxycarbonimidoyl]pyridin-2-one?
The IUPAC name of 1-(2,6-dichlorophenyl)-5-[(Z)-C-(2,4-difluorophenyl)-N-phenylmethoxycarbonimidoyl]pyridin-2-one (CID 87741793) is 1-(2,6-dichlorophenyl)-5-[(Z)-C-(2,4-difluorophenyl)-N-phenylmethoxycarbonimidoyl]pyridin-2-one.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-5-[(Z)-C-(2,4-difluorophenyl)-N-phenylmethoxycarbonimidoyl]pyridin-2-one?
The canonical SMILES for 1-(2,6-dichlorophenyl)-5-[(Z)-C-(2,4-difluorophenyl)-N-phenylmethoxycarbonimidoyl]pyridin-2-one is O=c1ccc(/C(=N/OCc2ccccc2)c2ccc(F)cc2F)cn1-c1c(Cl)cccc1Cl.
What is the InChIKey of 1-(2,6-dichlorophenyl)-5-[(Z)-C-(2,4-difluorophenyl)-N-phenylmethoxycarbonimidoyl]pyridin-2-one?
The InChIKey is XSAPUVLRYYEVST-KRUMMXJUSA-N. The full InChI is InChI=1S/C25H16Cl2F2N2O2/c26-20-7-4-8-21(27)25(20)31-14-17(9-12-23(31)32)24(19-11-10-18(28)13-22(19)29)30-33-15-16-5-2-1-3-6-16/h1-14H,15H2/b30-24-.
What are the key properties of 1-(2,6-dichlorophenyl)-5-[(Z)-C-(2,4-difluorophenyl)-N-phenylmethoxycarbonimidoyl]pyridin-2-one?
1-(2,6-dichlorophenyl)-5-[(Z)-C-(2,4-difluorophenyl)-N-phenylmethoxycarbonimidoyl]pyridin-2-one has a molecular weight of 485.32 g/mol, XLogP of 6.39, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)-5-[(Z)-C-(2,4-difluorophenyl)-N-phenylmethoxycarbonimidoyl]pyridin-2-one is sourced from PubChem (CID 87741793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).