(2Z)-2-[2-[6-(2-chlorophenoxy)-5-fluoropyrimidin-4-yl]oxyphenyl]-2-methoxyiminoacetamide

C19H14ClFN4O4 — CID 139033185

IUPAC(2Z)-2-[2-[6-(2-chlorophenoxy)-5-fluoropyrimidin-4-yl]oxyphenyl]-2-methoxyiminoacetamide
SMILESCO/N=C(\C(N)=O)c1ccccc1Oc1ncnc(Oc2ccccc2Cl)c1F
InChIInChI=1S/C19H14ClFN4O4/c1-27-25-16(17(22)26)11-6-2-4-8-13(11)28-18-15(21)19(24-10-23-18)29-14-9-5-3-7-12(14)20/h2-10H,1H3,(H2,22,26)/b25-16-
InChIKeyDPNOYUYIQDKVTL-XYGWBWBKSA-N
MW416.80 g/mol
LogP3.69
Rot. Bonds7

About (2Z)-2-[2-[6-(2-chlorophenoxy)-5-fluoropyrimidin-4-yl]oxyphenyl]-2-methoxyiminoacetamide

(2Z)-2-[2-[6-(2-chlorophenoxy)-5-fluoropyrimidin-4-yl]oxyphenyl]-2-methoxyiminoacetamide (PubChem CID 139033185) has the molecular formula C19H14ClFN4O4 and a molecular weight of 416.80 g/mol. Its IUPAC name is (2Z)-2-[2-[6-(2-chlorophenoxy)-5-fluoropyrimidin-4-yl]oxyphenyl]-2-methoxyiminoacetamide.

Molecular Properties

Compound Name(2Z)-2-[2-[6-(2-chlorophenoxy)-5-fluoropyrimidin-4-yl]oxyphenyl]-2-methoxyiminoacetamide
PubChem CID139033185
Molecular FormulaC19H14ClFN4O4
Molecular Weight416.80 g/mol
Exact Mass416.07
IUPAC Name(2Z)-2-[2-[6-(2-chlorophenoxy)-5-fluoropyrimidin-4-yl]oxyphenyl]-2-methoxyiminoacetamide
SMILESCO/N=C(\C(N)=O)c1ccccc1Oc1ncnc(Oc2ccccc2Cl)c1F
InChIInChI=1S/C19H14ClFN4O4/c1-27-25-16(17(22)26)11-6-2-4-8-13(11)28-18-15(21)19(24-10-23-18)29-14-9-5-3-7-12(14)20/h2-10H,1H3,(H2,22,26)/b25-16-
InChIKeyDPNOYUYIQDKVTL-XYGWBWBKSA-N
XLogP3.69
TPSA108.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.80
LogP ≤ 53.69
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'}

Analyze (2Z)-2-[2-[6-(2-chlorophenoxy)-5-fluoropyrimidin-4-yl]oxyphenyl]-2-methoxyiminoacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[2-[6-(2-chlorophenoxy)-5-fluoropyrimidin-4-yl]oxyphenyl]-2-methoxyiminoacetamide?
The IUPAC name of (2Z)-2-[2-[6-(2-chlorophenoxy)-5-fluoropyrimidin-4-yl]oxyphenyl]-2-methoxyiminoacetamide (CID 139033185) is (2Z)-2-[2-[6-(2-chlorophenoxy)-5-fluoropyrimidin-4-yl]oxyphenyl]-2-methoxyiminoacetamide.
What is the SMILES notation for (2Z)-2-[2-[6-(2-chlorophenoxy)-5-fluoropyrimidin-4-yl]oxyphenyl]-2-methoxyiminoacetamide?
The canonical SMILES for (2Z)-2-[2-[6-(2-chlorophenoxy)-5-fluoropyrimidin-4-yl]oxyphenyl]-2-methoxyiminoacetamide is CO/N=C(\C(N)=O)c1ccccc1Oc1ncnc(Oc2ccccc2Cl)c1F.
What is the InChIKey of (2Z)-2-[2-[6-(2-chlorophenoxy)-5-fluoropyrimidin-4-yl]oxyphenyl]-2-methoxyiminoacetamide?
The InChIKey is DPNOYUYIQDKVTL-XYGWBWBKSA-N. The full InChI is InChI=1S/C19H14ClFN4O4/c1-27-25-16(17(22)26)11-6-2-4-8-13(11)28-18-15(21)19(24-10-23-18)29-14-9-5-3-7-12(14)20/h2-10H,1H3,(H2,22,26)/b25-16-.
What are the key properties of (2Z)-2-[2-[6-(2-chlorophenoxy)-5-fluoropyrimidin-4-yl]oxyphenyl]-2-methoxyiminoacetamide?
(2Z)-2-[2-[6-(2-chlorophenoxy)-5-fluoropyrimidin-4-yl]oxyphenyl]-2-methoxyiminoacetamide has a molecular weight of 416.80 g/mol, XLogP of 3.69, 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-methoxyiminoacetamide is sourced from PubChem (CID 139033185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).