N-(3-chloro-4-cyanophenyl)-2-[(Z)-(4-ethoxyphenyl)methylideneamino]oxyacetamide

C18H16ClN3O3 — CID 7669907

IUPACN-(3-chloro-4-cyanophenyl)-2-[(Z)-(4-ethoxyphenyl)methylideneamino]oxyacetamide
SMILESCCOc1ccc(/C=N\OCC(=O)Nc2ccc(C#N)c(Cl)c2)cc1
InChIInChI=1S/C18H16ClN3O3/c1-2-24-16-7-3-13(4-8-16)11-21-25-12-18(23)22-15-6-5-14(10-20)17(19)9-15/h3-9,11H,2,12H2,1H3,(H,22,23)/b21-11-
InChIKeyIXCRWVWDMJFSDF-NHDPSOOVSA-N
MW357.80 g/mol
LogP3.60
Rot. Bonds7

About N-(3-chloro-4-cyanophenyl)-2-[(Z)-(4-ethoxyphenyl)methylideneamino]oxyacetamide

N-(3-chloro-4-cyanophenyl)-2-[(Z)-(4-ethoxyphenyl)methylideneamino]oxyacetamide (PubChem CID 7669907) has the molecular formula C18H16ClN3O3 and a molecular weight of 357.80 g/mol. Its IUPAC name is N-(3-chloro-4-cyanophenyl)-2-[(Z)-(4-ethoxyphenyl)methylideneamino]oxyacetamide.

Molecular Properties

Compound NameN-(3-chloro-4-cyanophenyl)-2-[(Z)-(4-ethoxyphenyl)methylideneamino]oxyacetamide
PubChem CID7669907
Molecular FormulaC18H16ClN3O3
Molecular Weight357.80 g/mol
Exact Mass357.09
IUPAC NameN-(3-chloro-4-cyanophenyl)-2-[(Z)-(4-ethoxyphenyl)methylideneamino]oxyacetamide
SMILESCCOc1ccc(/C=N\OCC(=O)Nc2ccc(C#N)c(Cl)c2)cc1
InChIInChI=1S/C18H16ClN3O3/c1-2-24-16-7-3-13(4-8-16)11-21-25-12-18(23)22-15-6-5-14(10-20)17(19)9-15/h3-9,11H,2,12H2,1H3,(H,22,23)/b21-11-
InChIKeyIXCRWVWDMJFSDF-NHDPSOOVSA-N
XLogP3.60
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.80
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

N-(4-ethoxyphenyl)-2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetamide
CID 7705393
N-(3,5-dimethylphenyl)-2-[(Z)-(4-ethoxyphenyl)methylideneamino]oxyacetamide
CID 7669707
2-[(Z)-(4-ethoxyphenyl)methylideneamino]oxy-N-(3-fluorophenyl)acetamide
CID 7669824
N-(2-chloro-4-fluorophenyl)-2-[(Z)-(4-ethoxyphenyl)methylideneamino]oxyacetamide
CID 7669670
N-(3-chloro-4-methylphenyl)-2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetamide
CID 7705226
N-(3-chloro-4-cyanophenyl)-2-(3,4-dimethylphenoxy)acetamide
CID 2103781
N-(4-cyanophenyl)-2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetamide
CID 7705396
2-(1,3-benzodioxol-5-ylmethylideneamino)oxy-N-(4-ethoxyphenyl)acetamide
CID 2695601
2-[(Z)-(4-ethoxyphenyl)methylideneamino]oxy-N-(4-piperidin-1-ylphenyl)acetamide
CID 7550286
N-(3-chloro-4-methylphenyl)-2-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]oxyacetamide
CID 7662824
[2-(3-chloro-4-cyanoanilino)-2-oxoethyl] 2-methylpropanoate
CID 7782364
N-(3,4-dichlorophenyl)-N'-[(Z)-(4-ethoxyphenyl)methylideneamino]propanediamide
CID 5440770

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-cyanophenyl)-2-[(Z)-(4-ethoxyphenyl)methylideneamino]oxyacetamide?
The IUPAC name of N-(3-chloro-4-cyanophenyl)-2-[(Z)-(4-ethoxyphenyl)methylideneamino]oxyacetamide (CID 7669907) is N-(3-chloro-4-cyanophenyl)-2-[(Z)-(4-ethoxyphenyl)methylideneamino]oxyacetamide.
What is the SMILES notation for N-(3-chloro-4-cyanophenyl)-2-[(Z)-(4-ethoxyphenyl)methylideneamino]oxyacetamide?
The canonical SMILES for N-(3-chloro-4-cyanophenyl)-2-[(Z)-(4-ethoxyphenyl)methylideneamino]oxyacetamide is CCOc1ccc(/C=N\OCC(=O)Nc2ccc(C#N)c(Cl)c2)cc1.
What is the InChIKey of N-(3-chloro-4-cyanophenyl)-2-[(Z)-(4-ethoxyphenyl)methylideneamino]oxyacetamide?
The InChIKey is IXCRWVWDMJFSDF-NHDPSOOVSA-N. The full InChI is InChI=1S/C18H16ClN3O3/c1-2-24-16-7-3-13(4-8-16)11-21-25-12-18(23)22-15-6-5-14(10-20)17(19)9-15/h3-9,11H,2,12H2,1H3,(H,22,23)/b21-11-.
What are the key properties of N-(3-chloro-4-cyanophenyl)-2-[(Z)-(4-ethoxyphenyl)methylideneamino]oxyacetamide?
N-(3-chloro-4-cyanophenyl)-2-[(Z)-(4-ethoxyphenyl)methylideneamino]oxyacetamide has a molecular weight of 357.80 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-cyanophenyl)-2-[(Z)-(4-ethoxyphenyl)methylideneamino]oxyacetamide is sourced from PubChem (CID 7669907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).