N-(2-chloro-4-fluorophenyl)-2-[(Z)-(4-ethoxyphenyl)methylideneamino]oxyacetamide

C17H16ClFN2O3 — CID 7669670

IUPACN-(2-chloro-4-fluorophenyl)-2-[(Z)-(4-ethoxyphenyl)methylideneamino]oxyacetamide
SMILESCCOc1ccc(/C=N\OCC(=O)Nc2ccc(F)cc2Cl)cc1
InChIInChI=1S/C17H16ClFN2O3/c1-2-23-14-6-3-12(4-7-14)10-20-24-11-17(22)21-16-8-5-13(19)9-15(16)18/h3-10H,2,11H2,1H3,(H,21,22)/b20-10-
InChIKeyCQCVRCBZTBIRRN-JMIUGGIZSA-N
MW350.78 g/mol
LogP3.87
Rot. Bonds7

About N-(2-chloro-4-fluorophenyl)-2-[(Z)-(4-ethoxyphenyl)methylideneamino]oxyacetamide

N-(2-chloro-4-fluorophenyl)-2-[(Z)-(4-ethoxyphenyl)methylideneamino]oxyacetamide (PubChem CID 7669670) has the molecular formula C17H16ClFN2O3 and a molecular weight of 350.78 g/mol. Its IUPAC name is N-(2-chloro-4-fluorophenyl)-2-[(Z)-(4-ethoxyphenyl)methylideneamino]oxyacetamide.

Molecular Properties

Compound NameN-(2-chloro-4-fluorophenyl)-2-[(Z)-(4-ethoxyphenyl)methylideneamino]oxyacetamide
PubChem CID7669670
Molecular FormulaC17H16ClFN2O3
Molecular Weight350.78 g/mol
Exact Mass350.08
IUPAC NameN-(2-chloro-4-fluorophenyl)-2-[(Z)-(4-ethoxyphenyl)methylideneamino]oxyacetamide
SMILESCCOc1ccc(/C=N\OCC(=O)Nc2ccc(F)cc2Cl)cc1
InChIInChI=1S/C17H16ClFN2O3/c1-2-23-14-6-3-12(4-7-14)10-20-24-11-17(22)21-16-8-5-13(19)9-15(16)18/h3-10H,2,11H2,1H3,(H,21,22)/b20-10-
InChIKeyCQCVRCBZTBIRRN-JMIUGGIZSA-N
XLogP3.87
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.78
LogP ≤ 53.87
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-ethoxyphenyl)methylideneamino]oxy-N-(3-fluorophenyl)acetamide
CID 7669824
N-(3,5-dimethylphenyl)-2-[(Z)-(4-ethoxyphenyl)methylideneamino]oxyacetamide
CID 7669707
N-(2-chloro-4-methylphenyl)-2-[(Z)-(4-ethylphenyl)methylideneamino]oxyacetamide
CID 7698913
N-(2-chloro-4-fluorophenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 26216318
N-(3-chloro-4-cyanophenyl)-2-[(Z)-(4-ethoxyphenyl)methylideneamino]oxyacetamide
CID 7669907
N-(4-ethoxyphenyl)-2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetamide
CID 7705393
2-[4-[(2S)-butan-2-yl]phenoxy]-N-(2-chloro-4-fluorophenyl)acetamide
CID 7643302
N-(4-dodecoxyphenyl)-2-[(E)-(4-fluorophenyl)methylideneamino]oxyacetamide
CID 142272575
2-[(Z)-(4-chlorophenyl)methylideneamino]oxy-N-(2,4-dimethoxyphenyl)acetamide
CID 7700967
methyl 4-[[2-(2,5-difluoroanilino)-2-oxoethoxy]iminomethyl]benzoate
CID 2109757
N-(2-chloro-4-fluorophenyl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 26693197
N-(2-chloro-4-fluorophenyl)-2-(4-cyanophenoxy)acetamide
CID 7771641

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-fluorophenyl)-2-[(Z)-(4-ethoxyphenyl)methylideneamino]oxyacetamide?
The IUPAC name of N-(2-chloro-4-fluorophenyl)-2-[(Z)-(4-ethoxyphenyl)methylideneamino]oxyacetamide (CID 7669670) is N-(2-chloro-4-fluorophenyl)-2-[(Z)-(4-ethoxyphenyl)methylideneamino]oxyacetamide.
What is the SMILES notation for N-(2-chloro-4-fluorophenyl)-2-[(Z)-(4-ethoxyphenyl)methylideneamino]oxyacetamide?
The canonical SMILES for N-(2-chloro-4-fluorophenyl)-2-[(Z)-(4-ethoxyphenyl)methylideneamino]oxyacetamide is CCOc1ccc(/C=N\OCC(=O)Nc2ccc(F)cc2Cl)cc1.
What is the InChIKey of N-(2-chloro-4-fluorophenyl)-2-[(Z)-(4-ethoxyphenyl)methylideneamino]oxyacetamide?
The InChIKey is CQCVRCBZTBIRRN-JMIUGGIZSA-N. The full InChI is InChI=1S/C17H16ClFN2O3/c1-2-23-14-6-3-12(4-7-14)10-20-24-11-17(22)21-16-8-5-13(19)9-15(16)18/h3-10H,2,11H2,1H3,(H,21,22)/b20-10-.
What are the key properties of N-(2-chloro-4-fluorophenyl)-2-[(Z)-(4-ethoxyphenyl)methylideneamino]oxyacetamide?
N-(2-chloro-4-fluorophenyl)-2-[(Z)-(4-ethoxyphenyl)methylideneamino]oxyacetamide has a molecular weight of 350.78 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-fluorophenyl)-2-[(Z)-(4-ethoxyphenyl)methylideneamino]oxyacetamide is sourced from PubChem (CID 7669670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).