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

C20H16BrFN4O4 — CID 15835093

IUPAC(2Z)-2-[2-[6-(2-bromophenoxy)-5-fluoropyrimidin-4-yl]oxyphenyl]-2-methoxyimino-N-methylacetamide
SMILESCNC(=O)/C(=N\OC)c1ccccc1Oc1ncnc(Oc2ccccc2Br)c1F
InChIInChI=1S/C20H16BrFN4O4/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-
InChIKeyILWLRRZNDWNRKM-ONUIUJJFSA-N
MW475.27 g/mol
LogP4.06
Rot. Bonds7

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

(2Z)-2-[2-[6-(2-bromophenoxy)-5-fluoropyrimidin-4-yl]oxyphenyl]-2-methoxyimino-N-methylacetamide (PubChem CID 15835093) has the molecular formula C20H16BrFN4O4 and a molecular weight of 475.27 g/mol. Its IUPAC name is (2Z)-2-[2-[6-(2-bromophenoxy)-5-fluoropyrimidin-4-yl]oxyphenyl]-2-methoxyimino-N-methylacetamide.

Molecular Properties

Compound Name(2Z)-2-[2-[6-(2-bromophenoxy)-5-fluoropyrimidin-4-yl]oxyphenyl]-2-methoxyimino-N-methylacetamide
PubChem CID15835093
Molecular FormulaC20H16BrFN4O4
Molecular Weight475.27 g/mol
Exact Mass474.03
IUPAC Name(2Z)-2-[2-[6-(2-bromophenoxy)-5-fluoropyrimidin-4-yl]oxyphenyl]-2-methoxyimino-N-methylacetamide
SMILESCNC(=O)/C(=N\OC)c1ccccc1Oc1ncnc(Oc2ccccc2Br)c1F
InChIInChI=1S/C20H16BrFN4O4/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-
InChIKeyILWLRRZNDWNRKM-ONUIUJJFSA-N
XLogP4.06
TPSA94.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.27
LogP ≤ 54.06
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

(2E)-2-[2-[5-fluoro-6-(2-methylphenoxy)pyrimidin-4-yl]oxyphenyl]-2-methoxyimino-N-methylacetamide
CID 59956522
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
2-methoxyimino-N-methyl-2-[2-(4-phenoxyphenoxy)phenyl]acetamide
CID 54359900
2-[2-[6-(3-chloro-2-methylphenoxy)-5-fluoropyrimidin-4-yl]oxyphenyl]-2-methoxyiminoacetamide
CID 150335348
(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
2-[2-(4-tert-butylphenoxy)phenyl]-2-methoxyimino-N-methylacetamide
CID 54137319
(2E)-2-methoxyimino-2-[2-[2-[(Z)-N-methoxy-C-methylcarbonimidoyl]-5,6-dimethylpyrimidin-4-yl]oxyphenyl]-N-methylacetamide
CID 54130842
4-(2-bromophenoxy)-6-ethyl-5-fluoropyrimidine
CID 103879747
(2Z)-2-(2-ethylphenyl)-2-methoxyimino-N-methylacetamide
CID 22886048

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[2-[6-(2-bromophenoxy)-5-fluoropyrimidin-4-yl]oxyphenyl]-2-methoxyimino-N-methylacetamide?
The IUPAC name of (2Z)-2-[2-[6-(2-bromophenoxy)-5-fluoropyrimidin-4-yl]oxyphenyl]-2-methoxyimino-N-methylacetamide (CID 15835093) is (2Z)-2-[2-[6-(2-bromophenoxy)-5-fluoropyrimidin-4-yl]oxyphenyl]-2-methoxyimino-N-methylacetamide.
What is the SMILES notation for (2Z)-2-[2-[6-(2-bromophenoxy)-5-fluoropyrimidin-4-yl]oxyphenyl]-2-methoxyimino-N-methylacetamide?
The canonical SMILES for (2Z)-2-[2-[6-(2-bromophenoxy)-5-fluoropyrimidin-4-yl]oxyphenyl]-2-methoxyimino-N-methylacetamide is CNC(=O)/C(=N\OC)c1ccccc1Oc1ncnc(Oc2ccccc2Br)c1F.
What is the InChIKey of (2Z)-2-[2-[6-(2-bromophenoxy)-5-fluoropyrimidin-4-yl]oxyphenyl]-2-methoxyimino-N-methylacetamide?
The InChIKey is ILWLRRZNDWNRKM-ONUIUJJFSA-N. The full InChI is InChI=1S/C20H16BrFN4O4/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-bromophenoxy)-5-fluoropyrimidin-4-yl]oxyphenyl]-2-methoxyimino-N-methylacetamide?
(2Z)-2-[2-[6-(2-bromophenoxy)-5-fluoropyrimidin-4-yl]oxyphenyl]-2-methoxyimino-N-methylacetamide has a molecular weight of 475.27 g/mol, XLogP of 4.06, 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-bromophenoxy)-5-fluoropyrimidin-4-yl]oxyphenyl]-2-methoxyimino-N-methylacetamide is sourced from PubChem (CID 15835093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).