2-[2-[6-(3-chloro-2-methylphenoxy)-5-fluoropyrimidin-4-yl]oxyphenyl]-2-methoxyiminoacetamide

C20H16ClFN4O4 — CID 150335348

IUPAC2-[2-[6-(3-chloro-2-methylphenoxy)-5-fluoropyrimidin-4-yl]oxyphenyl]-2-methoxyiminoacetamide
SMILESCON=C(C(N)=O)c1ccccc1Oc1ncnc(Oc2cccc(Cl)c2C)c1F
InChIInChI=1S/C20H16ClFN4O4/c1-11-13(21)7-5-9-14(11)29-19-16(22)20(25-10-24-19)30-15-8-4-3-6-12(15)17(18(23)27)26-28-2/h3-10H,1-2H3,(H2,23,27)
InChIKeyGQNXUPWSIVQMDJ-UHFFFAOYSA-N
MW430.82 g/mol
LogP4.00
Rot. Bonds7

About 2-[2-[6-(3-chloro-2-methylphenoxy)-5-fluoropyrimidin-4-yl]oxyphenyl]-2-methoxyiminoacetamide

2-[2-[6-(3-chloro-2-methylphenoxy)-5-fluoropyrimidin-4-yl]oxyphenyl]-2-methoxyiminoacetamide (PubChem CID 150335348) has the molecular formula C20H16ClFN4O4 and a molecular weight of 430.82 g/mol. Its IUPAC name is 2-[2-[6-(3-chloro-2-methylphenoxy)-5-fluoropyrimidin-4-yl]oxyphenyl]-2-methoxyiminoacetamide.

Molecular Properties

Compound Name2-[2-[6-(3-chloro-2-methylphenoxy)-5-fluoropyrimidin-4-yl]oxyphenyl]-2-methoxyiminoacetamide
PubChem CID150335348
Molecular FormulaC20H16ClFN4O4
Molecular Weight430.82 g/mol
Exact Mass430.08
IUPAC Name2-[2-[6-(3-chloro-2-methylphenoxy)-5-fluoropyrimidin-4-yl]oxyphenyl]-2-methoxyiminoacetamide
SMILESCON=C(C(N)=O)c1ccccc1Oc1ncnc(Oc2cccc(Cl)c2C)c1F
InChIInChI=1S/C20H16ClFN4O4/c1-11-13(21)7-5-9-14(11)29-19-16(22)20(25-10-24-19)30-15-8-4-3-6-12(15)17(18(23)27)26-28-2/h3-10H,1-2H3,(H2,23,27)
InChIKeyGQNXUPWSIVQMDJ-UHFFFAOYSA-N
XLogP4.00
TPSA108.92 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 ≤ 54.00
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 2-[2-[6-(3-chloro-2-methylphenoxy)-5-fluoropyrimidin-4-yl]oxyphenyl]-2-methoxyiminoacetamide?
The IUPAC name of 2-[2-[6-(3-chloro-2-methylphenoxy)-5-fluoropyrimidin-4-yl]oxyphenyl]-2-methoxyiminoacetamide (CID 150335348) is 2-[2-[6-(3-chloro-2-methylphenoxy)-5-fluoropyrimidin-4-yl]oxyphenyl]-2-methoxyiminoacetamide.
What is the SMILES notation for 2-[2-[6-(3-chloro-2-methylphenoxy)-5-fluoropyrimidin-4-yl]oxyphenyl]-2-methoxyiminoacetamide?
The canonical SMILES for 2-[2-[6-(3-chloro-2-methylphenoxy)-5-fluoropyrimidin-4-yl]oxyphenyl]-2-methoxyiminoacetamide is CON=C(C(N)=O)c1ccccc1Oc1ncnc(Oc2cccc(Cl)c2C)c1F.
What is the InChIKey of 2-[2-[6-(3-chloro-2-methylphenoxy)-5-fluoropyrimidin-4-yl]oxyphenyl]-2-methoxyiminoacetamide?
The InChIKey is GQNXUPWSIVQMDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClFN4O4/c1-11-13(21)7-5-9-14(11)29-19-16(22)20(25-10-24-19)30-15-8-4-3-6-12(15)17(18(23)27)26-28-2/h3-10H,1-2H3,(H2,23,27).
What are the key properties of 2-[2-[6-(3-chloro-2-methylphenoxy)-5-fluoropyrimidin-4-yl]oxyphenyl]-2-methoxyiminoacetamide?
2-[2-[6-(3-chloro-2-methylphenoxy)-5-fluoropyrimidin-4-yl]oxyphenyl]-2-methoxyiminoacetamide has a molecular weight of 430.82 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[6-(3-chloro-2-methylphenoxy)-5-fluoropyrimidin-4-yl]oxyphenyl]-2-methoxyiminoacetamide is sourced from PubChem (CID 150335348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).