(2Z)-2-[2-[6-(2-chlorophenoxy)-5-fluoropyrimidin-4-yl]oxyphenyl]-2-methoxyimino-N-methylacetamide

C20H16ClFN4O4 — CID 10993707

IUPAC(2Z)-2-[2-[6-(2-chlorophenoxy)-5-fluoropyrimidin-4-yl]oxyphenyl]-2-methoxyimino-N-methylacetamide
SMILESCNC(=O)/C(=N\OC)c1ccccc1Oc1ncnc(Oc2ccccc2Cl)c1F
InChIInChI=1S/C20H16ClFN4O4/c1-23-18(27)17(26-28-2)12-7-3-5-9-14(12)29-19-16(22)20(25-11-24-19)30-15-10-6-4-8-13(15)21/h3-11H,1-2H3,(H,23,27)/b26-17-
InChIKeyKODYTVRJLLEXPK-ONUIUJJFSA-N
MW430.82 g/mol
LogP3.95
Rot. Bonds7

About (2Z)-2-[2-[6-(2-chlorophenoxy)-5-fluoropyrimidin-4-yl]oxyphenyl]-2-methoxyimino-N-methylacetamide

(2Z)-2-[2-[6-(2-chlorophenoxy)-5-fluoropyrimidin-4-yl]oxyphenyl]-2-methoxyimino-N-methylacetamide (PubChem CID 10993707) has the molecular formula C20H16ClFN4O4 and a molecular weight of 430.82 g/mol. Its IUPAC name is (2Z)-2-[2-[6-(2-chlorophenoxy)-5-fluoropyrimidin-4-yl]oxyphenyl]-2-methoxyimino-N-methylacetamide.

Molecular Properties

Compound Name(2Z)-2-[2-[6-(2-chlorophenoxy)-5-fluoropyrimidin-4-yl]oxyphenyl]-2-methoxyimino-N-methylacetamide
PubChem CID10993707
Molecular FormulaC20H16ClFN4O4
Molecular Weight430.82 g/mol
Exact Mass430.08
IUPAC Name(2Z)-2-[2-[6-(2-chlorophenoxy)-5-fluoropyrimidin-4-yl]oxyphenyl]-2-methoxyimino-N-methylacetamide
SMILESCNC(=O)/C(=N\OC)c1ccccc1Oc1ncnc(Oc2ccccc2Cl)c1F
InChIInChI=1S/C20H16ClFN4O4/c1-23-18(27)17(26-28-2)12-7-3-5-9-14(12)29-19-16(22)20(25-11-24-19)30-15-10-6-4-8-13(15)21/h3-11H,1-2H3,(H,23,27)/b26-17-
InChIKeyKODYTVRJLLEXPK-ONUIUJJFSA-N
XLogP3.95
TPSA94.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.82
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 (2Z)-2-[2-[6-(2-chlorophenoxy)-5-fluoropyrimidin-4-yl]oxyphenyl]-2-methoxyimino-N-methylacetamide?
The IUPAC name of (2Z)-2-[2-[6-(2-chlorophenoxy)-5-fluoropyrimidin-4-yl]oxyphenyl]-2-methoxyimino-N-methylacetamide (CID 10993707) is (2Z)-2-[2-[6-(2-chlorophenoxy)-5-fluoropyrimidin-4-yl]oxyphenyl]-2-methoxyimino-N-methylacetamide.
What is the SMILES notation for (2Z)-2-[2-[6-(2-chlorophenoxy)-5-fluoropyrimidin-4-yl]oxyphenyl]-2-methoxyimino-N-methylacetamide?
The canonical SMILES for (2Z)-2-[2-[6-(2-chlorophenoxy)-5-fluoropyrimidin-4-yl]oxyphenyl]-2-methoxyimino-N-methylacetamide is CNC(=O)/C(=N\OC)c1ccccc1Oc1ncnc(Oc2ccccc2Cl)c1F.
What is the InChIKey of (2Z)-2-[2-[6-(2-chlorophenoxy)-5-fluoropyrimidin-4-yl]oxyphenyl]-2-methoxyimino-N-methylacetamide?
The InChIKey is KODYTVRJLLEXPK-ONUIUJJFSA-N. The full InChI is InChI=1S/C20H16ClFN4O4/c1-23-18(27)17(26-28-2)12-7-3-5-9-14(12)29-19-16(22)20(25-11-24-19)30-15-10-6-4-8-13(15)21/h3-11H,1-2H3,(H,23,27)/b26-17-.
What are the key properties of (2Z)-2-[2-[6-(2-chlorophenoxy)-5-fluoropyrimidin-4-yl]oxyphenyl]-2-methoxyimino-N-methylacetamide?
(2Z)-2-[2-[6-(2-chlorophenoxy)-5-fluoropyrimidin-4-yl]oxyphenyl]-2-methoxyimino-N-methylacetamide has a molecular weight of 430.82 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[2-[6-(2-chlorophenoxy)-5-fluoropyrimidin-4-yl]oxyphenyl]-2-methoxyimino-N-methylacetamide is sourced from PubChem (CID 10993707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).