2-[(Z)-(4-ethoxyphenyl)methylideneamino]oxy-N-(3-fluorophenyl)acetamide

C17H17FN2O3 — CID 7669824

IUPAC2-[(Z)-(4-ethoxyphenyl)methylideneamino]oxy-N-(3-fluorophenyl)acetamide
SMILESCCOc1ccc(/C=N\OCC(=O)Nc2cccc(F)c2)cc1
InChIInChI=1S/C17H17FN2O3/c1-2-22-16-8-6-13(7-9-16)11-19-23-12-17(21)20-15-5-3-4-14(18)10-15/h3-11H,2,12H2,1H3,(H,20,21)/b19-11-
InChIKeyQPGWDWCLXAAULD-ODLFYWEKSA-N
MW316.33 g/mol
LogP3.21
Rot. Bonds7

About 2-[(Z)-(4-ethoxyphenyl)methylideneamino]oxy-N-(3-fluorophenyl)acetamide

2-[(Z)-(4-ethoxyphenyl)methylideneamino]oxy-N-(3-fluorophenyl)acetamide (PubChem CID 7669824) has the molecular formula C17H17FN2O3 and a molecular weight of 316.33 g/mol. Its IUPAC name is 2-[(Z)-(4-ethoxyphenyl)methylideneamino]oxy-N-(3-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[(Z)-(4-ethoxyphenyl)methylideneamino]oxy-N-(3-fluorophenyl)acetamide
PubChem CID7669824
Molecular FormulaC17H17FN2O3
Molecular Weight316.33 g/mol
Exact Mass316.12
IUPAC Name2-[(Z)-(4-ethoxyphenyl)methylideneamino]oxy-N-(3-fluorophenyl)acetamide
SMILESCCOc1ccc(/C=N\OCC(=O)Nc2cccc(F)c2)cc1
InChIInChI=1S/C17H17FN2O3/c1-2-22-16-8-6-13(7-9-16)11-19-23-12-17(21)20-15-5-3-4-14(18)10-15/h3-11H,2,12H2,1H3,(H,20,21)/b19-11-
InChIKeyQPGWDWCLXAAULD-ODLFYWEKSA-N
XLogP3.21
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.33
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

2-[(Z)-(4-chlorophenyl)methylideneamino]oxy-N-(3-fluorophenyl)acetamide
CID 7700971
2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]oxy-N-phenylacetamide
CID 3263920
N-(3,5-dimethylphenyl)-2-[(Z)-(4-ethoxyphenyl)methylideneamino]oxyacetamide
CID 7669707
N-(2-chloro-4-fluorophenyl)-2-[(Z)-(4-ethoxyphenyl)methylideneamino]oxyacetamide
CID 7669670
N-(4-ethoxyphenyl)-2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetamide
CID 7705393
2-(4-ethoxyphenyl)-N-(3-fluorophenyl)acetamide
CID 26579486
N-(3-chloro-4-cyanophenyl)-2-[(Z)-(4-ethoxyphenyl)methylideneamino]oxyacetamide
CID 7669907
2-[(E)-(4-fluorophenyl)methylideneamino]oxy-N-phenylacetamide
CID 47096591
2-(4-ethoxyanilino)-N-(3-fluorophenyl)acetamide
CID 28569623
N-(3,4-dimethylphenyl)-2-[(Z)-(3-fluorophenyl)methylideneamino]oxyacetamide
CID 7704309
N-(4-dodecoxyphenyl)-2-[(E)-(4-fluorophenyl)methylideneamino]oxyacetamide
CID 142272575
2-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]oxy-N-(3-methoxyphenyl)acetamide
CID 7644489

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-(4-ethoxyphenyl)methylideneamino]oxy-N-(3-fluorophenyl)acetamide?
The IUPAC name of 2-[(Z)-(4-ethoxyphenyl)methylideneamino]oxy-N-(3-fluorophenyl)acetamide (CID 7669824) is 2-[(Z)-(4-ethoxyphenyl)methylideneamino]oxy-N-(3-fluorophenyl)acetamide.
What is the SMILES notation for 2-[(Z)-(4-ethoxyphenyl)methylideneamino]oxy-N-(3-fluorophenyl)acetamide?
The canonical SMILES for 2-[(Z)-(4-ethoxyphenyl)methylideneamino]oxy-N-(3-fluorophenyl)acetamide is CCOc1ccc(/C=N\OCC(=O)Nc2cccc(F)c2)cc1.
What is the InChIKey of 2-[(Z)-(4-ethoxyphenyl)methylideneamino]oxy-N-(3-fluorophenyl)acetamide?
The InChIKey is QPGWDWCLXAAULD-ODLFYWEKSA-N. The full InChI is InChI=1S/C17H17FN2O3/c1-2-22-16-8-6-13(7-9-16)11-19-23-12-17(21)20-15-5-3-4-14(18)10-15/h3-11H,2,12H2,1H3,(H,20,21)/b19-11-.
What are the key properties of 2-[(Z)-(4-ethoxyphenyl)methylideneamino]oxy-N-(3-fluorophenyl)acetamide?
2-[(Z)-(4-ethoxyphenyl)methylideneamino]oxy-N-(3-fluorophenyl)acetamide has a molecular weight of 316.33 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-(4-ethoxyphenyl)methylideneamino]oxy-N-(3-fluorophenyl)acetamide is sourced from PubChem (CID 7669824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).