(2Z)-2-[2-[6-(2-cyanophenoxy)-5-fluoropyrimidin-4-yl]oxyphenyl]-2-(fluoromethoxyimino)-N-methylacetamide

C21H15F2N5O4 — CID 59971103

IUPAC(2Z)-2-[2-[6-(2-cyanophenoxy)-5-fluoropyrimidin-4-yl]oxyphenyl]-2-(fluoromethoxyimino)-N-methylacetamide
SMILESCNC(=O)/C(=N\OCF)c1ccccc1Oc1ncnc(Oc2ccccc2C#N)c1F
InChIInChI=1S/C21H15F2N5O4/c1-25-19(29)18(28-30-11-22)14-7-3-5-9-16(14)32-21-17(23)20(26-12-27-21)31-15-8-4-2-6-13(15)10-24/h2-9,12H,11H2,1H3,(H,25,29)/b28-18-
InChIKeyFCFMXSXYVVZCNW-VEILYXNESA-N
MW439.38 g/mol
LogP3.47
Rot. Bonds8

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

(2Z)-2-[2-[6-(2-cyanophenoxy)-5-fluoropyrimidin-4-yl]oxyphenyl]-2-(fluoromethoxyimino)-N-methylacetamide (PubChem CID 59971103) has the molecular formula C21H15F2N5O4 and a molecular weight of 439.38 g/mol. Its IUPAC name is (2Z)-2-[2-[6-(2-cyanophenoxy)-5-fluoropyrimidin-4-yl]oxyphenyl]-2-(fluoromethoxyimino)-N-methylacetamide.

Molecular Properties

Compound Name(2Z)-2-[2-[6-(2-cyanophenoxy)-5-fluoropyrimidin-4-yl]oxyphenyl]-2-(fluoromethoxyimino)-N-methylacetamide
PubChem CID59971103
Molecular FormulaC21H15F2N5O4
Molecular Weight439.38 g/mol
Exact Mass439.11
IUPAC Name(2Z)-2-[2-[6-(2-cyanophenoxy)-5-fluoropyrimidin-4-yl]oxyphenyl]-2-(fluoromethoxyimino)-N-methylacetamide
SMILESCNC(=O)/C(=N\OCF)c1ccccc1Oc1ncnc(Oc2ccccc2C#N)c1F
InChIInChI=1S/C21H15F2N5O4/c1-25-19(29)18(28-30-11-22)14-7-3-5-9-16(14)32-21-17(23)20(26-12-27-21)31-15-8-4-2-6-13(15)10-24/h2-9,12H,11H2,1H3,(H,25,29)/b28-18-
InChIKeyFCFMXSXYVVZCNW-VEILYXNESA-N
XLogP3.47
TPSA118.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.38
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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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Related Compounds

(2E)-2-[2-[5-fluoro-6-(2-methylphenoxy)pyrimidin-4-yl]oxyphenyl]-2-methoxyimino-N-methylacetamide
CID 59956522
(2Z)-2-[2-[6-(2-bromophenoxy)-5-fluoropyrimidin-4-yl]oxyphenyl]-2-methoxyimino-N-methylacetamide
CID 15835093
methyl 2-[2-(2-cyanophenoxy)-3-fluoro-4-pyridinyl]acetate
CID 167796916
2-[2-[6-(3-chloro-2-methylphenoxy)-5-fluoropyrimidin-4-yl]oxy-4-fluorophenyl]-2-methoxyimino-N-methylacetamide
CID 72621798
2-[6-[2-(3-methoxy-1-oxobut-1-en-2-yl)phenoxy]pyrimidin-4-yl]oxybenzonitrile
CID 91278250
2-methoxyimino-N-methyl-2-[2-(4-phenoxyphenoxy)phenyl]acetamide
CID 54359900
2-[6-(methylamino)pyrimidin-4-yl]oxybenzonitrile
CID 80863385
methyl (E)-2-[2-[6-(2-cyanophenoxy)pyrimidin-4-yl]oxyphenyl]-3-methoxyprop-2-enoate
CID 68917139
methyl (Z)-2-[2-[6-(2-cyanophenoxy)pyrimidin-4-yl]oxyphenyl]-3-methoxyprop-2-enoate
CID 6537969
methyl (Z)-3-amino-2-[2-[6-(2-cyanophenoxy)pyrimidin-4-yl]oxyphenyl]prop-2-enoate
CID 177433977
2-(fluoromethoxyamino)-2-[2-[5-fluoro-6-(2-nitrophenoxy)pyrimidin-4-yl]oxyphenyl]-N-methylacetamide
CID 20595448
3-(2-cyanophenoxy)-N-methylpropanamide
CID 62326067

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[2-[6-(2-cyanophenoxy)-5-fluoropyrimidin-4-yl]oxyphenyl]-2-(fluoromethoxyimino)-N-methylacetamide?
The IUPAC name of (2Z)-2-[2-[6-(2-cyanophenoxy)-5-fluoropyrimidin-4-yl]oxyphenyl]-2-(fluoromethoxyimino)-N-methylacetamide (CID 59971103) is (2Z)-2-[2-[6-(2-cyanophenoxy)-5-fluoropyrimidin-4-yl]oxyphenyl]-2-(fluoromethoxyimino)-N-methylacetamide.
What is the SMILES notation for (2Z)-2-[2-[6-(2-cyanophenoxy)-5-fluoropyrimidin-4-yl]oxyphenyl]-2-(fluoromethoxyimino)-N-methylacetamide?
The canonical SMILES for (2Z)-2-[2-[6-(2-cyanophenoxy)-5-fluoropyrimidin-4-yl]oxyphenyl]-2-(fluoromethoxyimino)-N-methylacetamide is CNC(=O)/C(=N\OCF)c1ccccc1Oc1ncnc(Oc2ccccc2C#N)c1F.
What is the InChIKey of (2Z)-2-[2-[6-(2-cyanophenoxy)-5-fluoropyrimidin-4-yl]oxyphenyl]-2-(fluoromethoxyimino)-N-methylacetamide?
The InChIKey is FCFMXSXYVVZCNW-VEILYXNESA-N. The full InChI is InChI=1S/C21H15F2N5O4/c1-25-19(29)18(28-30-11-22)14-7-3-5-9-16(14)32-21-17(23)20(26-12-27-21)31-15-8-4-2-6-13(15)10-24/h2-9,12H,11H2,1H3,(H,25,29)/b28-18-.
What are the key properties of (2Z)-2-[2-[6-(2-cyanophenoxy)-5-fluoropyrimidin-4-yl]oxyphenyl]-2-(fluoromethoxyimino)-N-methylacetamide?
(2Z)-2-[2-[6-(2-cyanophenoxy)-5-fluoropyrimidin-4-yl]oxyphenyl]-2-(fluoromethoxyimino)-N-methylacetamide has a molecular weight of 439.38 g/mol, XLogP of 3.47, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[2-[6-(2-cyanophenoxy)-5-fluoropyrimidin-4-yl]oxyphenyl]-2-(fluoromethoxyimino)-N-methylacetamide is sourced from PubChem (CID 59971103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).