2-[(E)-[[1-(2,6-dichlorophenyl)-6-oxo-3-pyridinyl]-(2,4-difluorophenyl)methylidene]amino]oxyacetamide

C20H13Cl2F2N3O3 — CID 87740071

IUPAC2-[(E)-[[1-(2,6-dichlorophenyl)-6-oxo-3-pyridinyl]-(2,4-difluorophenyl)methylidene]amino]oxyacetamide
SMILESNC(=O)CO/N=C(\c1ccc(=O)n(-c2c(Cl)cccc2Cl)c1)c1ccc(F)cc1F
InChIInChI=1S/C20H13Cl2F2N3O3/c21-14-2-1-3-15(22)20(14)27-9-11(4-7-18(27)29)19(26-30-10-17(25)28)13-6-5-12(23)8-16(13)24/h1-9H,10H2,(H2,25,28)/b26-19+
InChIKeyWXERBJNBSDHHNT-LGUFXXKBSA-N
MW452.24 g/mol
LogP3.68
Rot. Bonds6

About 2-[(E)-[[1-(2,6-dichlorophenyl)-6-oxo-3-pyridinyl]-(2,4-difluorophenyl)methylidene]amino]oxyacetamide

2-[(E)-[[1-(2,6-dichlorophenyl)-6-oxo-3-pyridinyl]-(2,4-difluorophenyl)methylidene]amino]oxyacetamide (PubChem CID 87740071) has the molecular formula C20H13Cl2F2N3O3 and a molecular weight of 452.24 g/mol. Its IUPAC name is 2-[(E)-[[1-(2,6-dichlorophenyl)-6-oxo-3-pyridinyl]-(2,4-difluorophenyl)methylidene]amino]oxyacetamide.

Molecular Properties

Compound Name2-[(E)-[[1-(2,6-dichlorophenyl)-6-oxo-3-pyridinyl]-(2,4-difluorophenyl)methylidene]amino]oxyacetamide
PubChem CID87740071
Molecular FormulaC20H13Cl2F2N3O3
Molecular Weight452.24 g/mol
Exact Mass451.03
IUPAC Name2-[(E)-[[1-(2,6-dichlorophenyl)-6-oxo-3-pyridinyl]-(2,4-difluorophenyl)methylidene]amino]oxyacetamide
SMILESNC(=O)CO/N=C(\c1ccc(=O)n(-c2c(Cl)cccc2Cl)c1)c1ccc(F)cc1F
InChIInChI=1S/C20H13Cl2F2N3O3/c21-14-2-1-3-15(22)20(14)27-9-11(4-7-18(27)29)19(26-30-10-17(25)28)13-6-5-12(23)8-16(13)24/h1-9H,10H2,(H2,25,28)/b26-19+
InChIKeyWXERBJNBSDHHNT-LGUFXXKBSA-N
XLogP3.68
TPSA86.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.24
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[[1-(2,6-dichlorophenyl)-6-oxo-3-pyridinyl]-(2,4-difluorophenyl)methylidene]amino]oxyacetamide?
The IUPAC name of 2-[(E)-[[1-(2,6-dichlorophenyl)-6-oxo-3-pyridinyl]-(2,4-difluorophenyl)methylidene]amino]oxyacetamide (CID 87740071) is 2-[(E)-[[1-(2,6-dichlorophenyl)-6-oxo-3-pyridinyl]-(2,4-difluorophenyl)methylidene]amino]oxyacetamide.
What is the SMILES notation for 2-[(E)-[[1-(2,6-dichlorophenyl)-6-oxo-3-pyridinyl]-(2,4-difluorophenyl)methylidene]amino]oxyacetamide?
The canonical SMILES for 2-[(E)-[[1-(2,6-dichlorophenyl)-6-oxo-3-pyridinyl]-(2,4-difluorophenyl)methylidene]amino]oxyacetamide is NC(=O)CO/N=C(\c1ccc(=O)n(-c2c(Cl)cccc2Cl)c1)c1ccc(F)cc1F.
What is the InChIKey of 2-[(E)-[[1-(2,6-dichlorophenyl)-6-oxo-3-pyridinyl]-(2,4-difluorophenyl)methylidene]amino]oxyacetamide?
The InChIKey is WXERBJNBSDHHNT-LGUFXXKBSA-N. The full InChI is InChI=1S/C20H13Cl2F2N3O3/c21-14-2-1-3-15(22)20(14)27-9-11(4-7-18(27)29)19(26-30-10-17(25)28)13-6-5-12(23)8-16(13)24/h1-9H,10H2,(H2,25,28)/b26-19+.
What are the key properties of 2-[(E)-[[1-(2,6-dichlorophenyl)-6-oxo-3-pyridinyl]-(2,4-difluorophenyl)methylidene]amino]oxyacetamide?
2-[(E)-[[1-(2,6-dichlorophenyl)-6-oxo-3-pyridinyl]-(2,4-difluorophenyl)methylidene]amino]oxyacetamide has a molecular weight of 452.24 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[[1-(2,6-dichlorophenyl)-6-oxo-3-pyridinyl]-(2,4-difluorophenyl)methylidene]amino]oxyacetamide is sourced from PubChem (CID 87740071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).