(2E)-2-[2-(5,6-difluoropyrimidin-4-yl)oxyphenyl]-2-methoxyimino-N-methylacetamide

C14H12F2N4O3 — CID 11347824

IUPAC(2E)-2-[2-(5,6-difluoropyrimidin-4-yl)oxyphenyl]-2-methoxyimino-N-methylacetamide
SMILESCNC(=O)/C(=N/OC)c1ccccc1Oc1ncnc(F)c1F
InChIInChI=1S/C14H12F2N4O3/c1-17-13(21)11(20-22-2)8-5-3-4-6-9(8)23-14-10(15)12(16)18-7-19-14/h3-7H,1-2H3,(H,17,21)/b20-11+
InChIKeyBLWBLATYTZODAI-RGVLZGJSSA-N
MW322.27 g/mol
LogP1.64
Rot. Bonds5

About (2E)-2-[2-(5,6-difluoropyrimidin-4-yl)oxyphenyl]-2-methoxyimino-N-methylacetamide

(2E)-2-[2-(5,6-difluoropyrimidin-4-yl)oxyphenyl]-2-methoxyimino-N-methylacetamide (PubChem CID 11347824) has the molecular formula C14H12F2N4O3 and a molecular weight of 322.27 g/mol. Its IUPAC name is (2E)-2-[2-(5,6-difluoropyrimidin-4-yl)oxyphenyl]-2-methoxyimino-N-methylacetamide.

Molecular Properties

Compound Name(2E)-2-[2-(5,6-difluoropyrimidin-4-yl)oxyphenyl]-2-methoxyimino-N-methylacetamide
PubChem CID11347824
Molecular FormulaC14H12F2N4O3
Molecular Weight322.27 g/mol
Exact Mass322.09
IUPAC Name(2E)-2-[2-(5,6-difluoropyrimidin-4-yl)oxyphenyl]-2-methoxyimino-N-methylacetamide
SMILESCNC(=O)/C(=N/OC)c1ccccc1Oc1ncnc(F)c1F
InChIInChI=1S/C14H12F2N4O3/c1-17-13(21)11(20-22-2)8-5-3-4-6-9(8)23-14-10(15)12(16)18-7-19-14/h3-7H,1-2H3,(H,17,21)/b20-11+
InChIKeyBLWBLATYTZODAI-RGVLZGJSSA-N
XLogP1.64
TPSA85.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.27
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 (2E)-2-[2-(5,6-difluoropyrimidin-4-yl)oxyphenyl]-2-methoxyimino-N-methylacetamide?
The IUPAC name of (2E)-2-[2-(5,6-difluoropyrimidin-4-yl)oxyphenyl]-2-methoxyimino-N-methylacetamide (CID 11347824) is (2E)-2-[2-(5,6-difluoropyrimidin-4-yl)oxyphenyl]-2-methoxyimino-N-methylacetamide.
What is the SMILES notation for (2E)-2-[2-(5,6-difluoropyrimidin-4-yl)oxyphenyl]-2-methoxyimino-N-methylacetamide?
The canonical SMILES for (2E)-2-[2-(5,6-difluoropyrimidin-4-yl)oxyphenyl]-2-methoxyimino-N-methylacetamide is CNC(=O)/C(=N/OC)c1ccccc1Oc1ncnc(F)c1F.
What is the InChIKey of (2E)-2-[2-(5,6-difluoropyrimidin-4-yl)oxyphenyl]-2-methoxyimino-N-methylacetamide?
The InChIKey is BLWBLATYTZODAI-RGVLZGJSSA-N. The full InChI is InChI=1S/C14H12F2N4O3/c1-17-13(21)11(20-22-2)8-5-3-4-6-9(8)23-14-10(15)12(16)18-7-19-14/h3-7H,1-2H3,(H,17,21)/b20-11+.
What are the key properties of (2E)-2-[2-(5,6-difluoropyrimidin-4-yl)oxyphenyl]-2-methoxyimino-N-methylacetamide?
(2E)-2-[2-(5,6-difluoropyrimidin-4-yl)oxyphenyl]-2-methoxyimino-N-methylacetamide has a molecular weight of 322.27 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[2-(5,6-difluoropyrimidin-4-yl)oxyphenyl]-2-methoxyimino-N-methylacetamide is sourced from PubChem (CID 11347824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).