(2E)-2-[2-[5-fluoro-6-(2-methylphenoxy)pyrimidin-4-yl]oxyphenyl]-2-methoxyimino-N-methylacetamide

C21H19FN4O4 — CID 59956522

IUPAC(2E)-2-[2-[5-fluoro-6-(2-methylphenoxy)pyrimidin-4-yl]oxyphenyl]-2-methoxyimino-N-methylacetamide
SMILESCNC(=O)/C(=N/OC)c1ccccc1Oc1ncnc(Oc2ccccc2C)c1F
InChIInChI=1S/C21H19FN4O4/c1-13-8-4-6-10-15(13)29-20-17(22)21(25-12-24-20)30-16-11-7-5-9-14(16)18(26-28-3)19(27)23-2/h4-12H,1-3H3,(H,23,27)/b26-18+
InChIKeyXKKMKVHVCGGQOY-NLRVBDNBSA-N
MW410.41 g/mol
LogP3.61
Rot. Bonds7

About (2E)-2-[2-[5-fluoro-6-(2-methylphenoxy)pyrimidin-4-yl]oxyphenyl]-2-methoxyimino-N-methylacetamide

(2E)-2-[2-[5-fluoro-6-(2-methylphenoxy)pyrimidin-4-yl]oxyphenyl]-2-methoxyimino-N-methylacetamide (PubChem CID 59956522) has the molecular formula C21H19FN4O4 and a molecular weight of 410.41 g/mol. Its IUPAC name is (2E)-2-[2-[5-fluoro-6-(2-methylphenoxy)pyrimidin-4-yl]oxyphenyl]-2-methoxyimino-N-methylacetamide.

Molecular Properties

Compound Name(2E)-2-[2-[5-fluoro-6-(2-methylphenoxy)pyrimidin-4-yl]oxyphenyl]-2-methoxyimino-N-methylacetamide
PubChem CID59956522
Molecular FormulaC21H19FN4O4
Molecular Weight410.41 g/mol
Exact Mass410.14
IUPAC Name(2E)-2-[2-[5-fluoro-6-(2-methylphenoxy)pyrimidin-4-yl]oxyphenyl]-2-methoxyimino-N-methylacetamide
SMILESCNC(=O)/C(=N/OC)c1ccccc1Oc1ncnc(Oc2ccccc2C)c1F
InChIInChI=1S/C21H19FN4O4/c1-13-8-4-6-10-15(13)29-20-17(22)21(25-12-24-20)30-16-11-7-5-9-14(16)18(26-28-3)19(27)23-2/h4-12H,1-3H3,(H,23,27)/b26-18+
InChIKeyXKKMKVHVCGGQOY-NLRVBDNBSA-N
XLogP3.61
TPSA94.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.41
LogP ≤ 53.61
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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Related Compounds

(2Z)-2-[2-[6-(2-bromophenoxy)-5-fluoropyrimidin-4-yl]oxyphenyl]-2-methoxyimino-N-methylacetamide
CID 15835093
2-[2-[6-(3-chloro-2-methylphenoxy)-5-fluoropyrimidin-4-yl]oxy-4-fluorophenyl]-2-methoxyimino-N-methylacetamide
CID 72621798
(2Z)-2-[2-[6-(2-cyanophenoxy)-5-fluoropyrimidin-4-yl]oxyphenyl]-2-(fluoromethoxyimino)-N-methylacetamide
CID 59971103
(2Z)-2-methoxyimino-N-methyl-2-[2-[(2-methylphenoxy)methyl]phenyl]acetamide
CID 15335383
2-[2-[6-(3-chloro-2-methylphenoxy)-5-fluoropyrimidin-4-yl]oxyphenyl]-2-methoxyiminoacetamide
CID 150335348
2-methoxyimino-N-methyl-2-[2-(4-phenoxyphenoxy)phenyl]acetamide
CID 54359900
2-methoxyimino-N-methyl-2-[2-[2-(2-methylphenoxy)ethyl]phenyl]acetamide
CID 150692604
2-methoxyimino-2-[2-(2-methylphenoxy)phenyl]acetic acid
CID 173358306
(2E)-2-methoxyimino-2-[2-[2-[(Z)-N-methoxy-C-methylcarbonimidoyl]-5,6-dimethylpyrimidin-4-yl]oxyphenyl]-N-methylacetamide
CID 54130842
(2Z)-2-methoxyimino-N-methyl-2-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]acetamide
CID 15767096
2-[2-(4-chlorophenoxy)phenyl]-2-methoxyimino-N-methylacetamide
CID 54158947
2-[2-(3,4-dichlorophenoxy)phenyl]-2-methoxyimino-N-methylacetamide
CID 54250767

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[2-[5-fluoro-6-(2-methylphenoxy)pyrimidin-4-yl]oxyphenyl]-2-methoxyimino-N-methylacetamide?
The IUPAC name of (2E)-2-[2-[5-fluoro-6-(2-methylphenoxy)pyrimidin-4-yl]oxyphenyl]-2-methoxyimino-N-methylacetamide (CID 59956522) is (2E)-2-[2-[5-fluoro-6-(2-methylphenoxy)pyrimidin-4-yl]oxyphenyl]-2-methoxyimino-N-methylacetamide.
What is the SMILES notation for (2E)-2-[2-[5-fluoro-6-(2-methylphenoxy)pyrimidin-4-yl]oxyphenyl]-2-methoxyimino-N-methylacetamide?
The canonical SMILES for (2E)-2-[2-[5-fluoro-6-(2-methylphenoxy)pyrimidin-4-yl]oxyphenyl]-2-methoxyimino-N-methylacetamide is CNC(=O)/C(=N/OC)c1ccccc1Oc1ncnc(Oc2ccccc2C)c1F.
What is the InChIKey of (2E)-2-[2-[5-fluoro-6-(2-methylphenoxy)pyrimidin-4-yl]oxyphenyl]-2-methoxyimino-N-methylacetamide?
The InChIKey is XKKMKVHVCGGQOY-NLRVBDNBSA-N. The full InChI is InChI=1S/C21H19FN4O4/c1-13-8-4-6-10-15(13)29-20-17(22)21(25-12-24-20)30-16-11-7-5-9-14(16)18(26-28-3)19(27)23-2/h4-12H,1-3H3,(H,23,27)/b26-18+.
What are the key properties of (2E)-2-[2-[5-fluoro-6-(2-methylphenoxy)pyrimidin-4-yl]oxyphenyl]-2-methoxyimino-N-methylacetamide?
(2E)-2-[2-[5-fluoro-6-(2-methylphenoxy)pyrimidin-4-yl]oxyphenyl]-2-methoxyimino-N-methylacetamide has a molecular weight of 410.41 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[2-[5-fluoro-6-(2-methylphenoxy)pyrimidin-4-yl]oxyphenyl]-2-methoxyimino-N-methylacetamide is sourced from PubChem (CID 59956522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).