2-[(Z)-(4-chlorophenyl)methylideneamino]oxy-N-(2,6-dimethylphenyl)acetamide

C17H17ClN2O2 — CID 7700741

IUPAC2-[(Z)-(4-chlorophenyl)methylideneamino]oxy-N-(2,6-dimethylphenyl)acetamide
SMILESCc1cccc(C)c1NC(=O)CO/N=C\c1ccc(Cl)cc1
InChIInChI=1S/C17H17ClN2O2/c1-12-4-3-5-13(2)17(12)20-16(21)11-22-19-10-14-6-8-15(18)9-7-14/h3-10H,11H2,1-2H3,(H,20,21)/b19-10-
InChIKeyFMHSJFBQRXLMOH-GRSHGNNSSA-N
MW316.79 g/mol
LogP3.95
Rot. Bonds5

About 2-[(Z)-(4-chlorophenyl)methylideneamino]oxy-N-(2,6-dimethylphenyl)acetamide

2-[(Z)-(4-chlorophenyl)methylideneamino]oxy-N-(2,6-dimethylphenyl)acetamide (PubChem CID 7700741) has the molecular formula C17H17ClN2O2 and a molecular weight of 316.79 g/mol. Its IUPAC name is 2-[(Z)-(4-chlorophenyl)methylideneamino]oxy-N-(2,6-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[(Z)-(4-chlorophenyl)methylideneamino]oxy-N-(2,6-dimethylphenyl)acetamide
PubChem CID7700741
Molecular FormulaC17H17ClN2O2
Molecular Weight316.79 g/mol
Exact Mass316.10
IUPAC Name2-[(Z)-(4-chlorophenyl)methylideneamino]oxy-N-(2,6-dimethylphenyl)acetamide
SMILESCc1cccc(C)c1NC(=O)CO/N=C\c1ccc(Cl)cc1
InChIInChI=1S/C17H17ClN2O2/c1-12-4-3-5-13(2)17(12)20-16(21)11-22-19-10-14-6-8-15(18)9-7-14/h3-10H,11H2,1-2H3,(H,20,21)/b19-10-
InChIKeyFMHSJFBQRXLMOH-GRSHGNNSSA-N
XLogP3.95
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(2-ethyl-6-methylphenyl)-2-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxyacetamide
CID 7702529
2-[(4-chlorophenyl)methylideneamino]oxy-N-phenylacetamide
CID 2430181
N-(3-acetylphenyl)-2-[(E)-(4-chlorophenyl)methylideneamino]oxyacetamide
CID 16545370
2-[(Z)-(4-chlorophenyl)methylideneamino]oxy-N-(3-fluoro-4-methylphenyl)acetamide
CID 7700978
2-[(Z)-(4-chlorophenyl)methylideneamino]oxy-N-(3-fluorophenyl)acetamide
CID 7700971
N-[2,6-di(propan-2-yl)phenyl]-2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetamide
CID 7705493
2-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxy-N-(2,4,6-trichlorophenyl)acetamide
CID 7702368
ethyl 4-[[2-[(4-chlorophenyl)methylideneamino]oxyacetyl]amino]benzoate
CID 2128037
2-[(Z)-(4-chlorophenyl)methylideneamino]oxy-N-(2-phenoxyphenyl)acetamide
CID 7700764
2-[(E)-(4-chlorophenyl)methylideneamino]oxy-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]acetamide
CID 24581900
N-(3-chloro-4-methylphenyl)-2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetamide
CID 7705226
2-[(Z)-(4-chlorophenyl)methylideneamino]oxy-N-(2,4-dimethoxyphenyl)acetamide
CID 7700967

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-(4-chlorophenyl)methylideneamino]oxy-N-(2,6-dimethylphenyl)acetamide?
The IUPAC name of 2-[(Z)-(4-chlorophenyl)methylideneamino]oxy-N-(2,6-dimethylphenyl)acetamide (CID 7700741) is 2-[(Z)-(4-chlorophenyl)methylideneamino]oxy-N-(2,6-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[(Z)-(4-chlorophenyl)methylideneamino]oxy-N-(2,6-dimethylphenyl)acetamide?
The canonical SMILES for 2-[(Z)-(4-chlorophenyl)methylideneamino]oxy-N-(2,6-dimethylphenyl)acetamide is Cc1cccc(C)c1NC(=O)CO/N=C\c1ccc(Cl)cc1.
What is the InChIKey of 2-[(Z)-(4-chlorophenyl)methylideneamino]oxy-N-(2,6-dimethylphenyl)acetamide?
The InChIKey is FMHSJFBQRXLMOH-GRSHGNNSSA-N. The full InChI is InChI=1S/C17H17ClN2O2/c1-12-4-3-5-13(2)17(12)20-16(21)11-22-19-10-14-6-8-15(18)9-7-14/h3-10H,11H2,1-2H3,(H,20,21)/b19-10-.
What are the key properties of 2-[(Z)-(4-chlorophenyl)methylideneamino]oxy-N-(2,6-dimethylphenyl)acetamide?
2-[(Z)-(4-chlorophenyl)methylideneamino]oxy-N-(2,6-dimethylphenyl)acetamide has a molecular weight of 316.79 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-(4-chlorophenyl)methylideneamino]oxy-N-(2,6-dimethylphenyl)acetamide is sourced from PubChem (CID 7700741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).