2-[(E)-(3-bromo-4-ethoxyphenyl)methylideneamino]oxy-N-(4-chlorophenyl)acetamide

C17H16BrClN2O3 — CID 124551705

IUPAC2-[(E)-(3-bromo-4-ethoxyphenyl)methylideneamino]oxy-N-(4-chlorophenyl)acetamide
SMILESCCOc1ccc(/C=N/OCC(=O)Nc2ccc(Cl)cc2)cc1Br
InChIInChI=1S/C17H16BrClN2O3/c1-2-23-16-8-3-12(9-15(16)18)10-20-24-11-17(22)21-14-6-4-13(19)5-7-14/h3-10H,2,11H2,1H3,(H,21,22)/b20-10+
InChIKeyJNKUWPLEBWGGMZ-KEBDBYFISA-N
MW411.68 g/mol
LogP4.49
Rot. Bonds7

About 2-[(E)-(3-bromo-4-ethoxyphenyl)methylideneamino]oxy-N-(4-chlorophenyl)acetamide

2-[(E)-(3-bromo-4-ethoxyphenyl)methylideneamino]oxy-N-(4-chlorophenyl)acetamide (PubChem CID 124551705) has the molecular formula C17H16BrClN2O3 and a molecular weight of 411.68 g/mol. Its IUPAC name is 2-[(E)-(3-bromo-4-ethoxyphenyl)methylideneamino]oxy-N-(4-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-[(E)-(3-bromo-4-ethoxyphenyl)methylideneamino]oxy-N-(4-chlorophenyl)acetamide
PubChem CID124551705
Molecular FormulaC17H16BrClN2O3
Molecular Weight411.68 g/mol
Exact Mass410.00
IUPAC Name2-[(E)-(3-bromo-4-ethoxyphenyl)methylideneamino]oxy-N-(4-chlorophenyl)acetamide
SMILESCCOc1ccc(/C=N/OCC(=O)Nc2ccc(Cl)cc2)cc1Br
InChIInChI=1S/C17H16BrClN2O3/c1-2-23-16-8-3-12(9-15(16)18)10-20-24-11-17(22)21-14-6-4-13(19)5-7-14/h3-10H,2,11H2,1H3,(H,21,22)/b20-10+
InChIKeyJNKUWPLEBWGGMZ-KEBDBYFISA-N
XLogP4.49
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.68
LogP ≤ 54.49
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-[[3-bromo-4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]oxy-N-(4-chlorophenyl)acetamide
CID 5105710
N-[(E)-[3-bromo-4-[2-(4-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-3,4-diethoxybenzamide
CID 126327696
2-[(3,4-diethoxyphenyl)methylideneamino]oxy-N-phenylacetamide
CID 3392833
N-(3-chloro-4-methylphenyl)-2-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]oxyacetamide
CID 7662824
2-[(E)-(3-bromo-4-phenylmethoxyphenyl)methylideneamino]oxy-N-(4-methylphenyl)acetamide
CID 124548221
2-[(3-bromo-4-phenylmethoxyphenyl)methylideneamino]oxy-N-(4-methylphenyl)acetamide
CID 3881838
2-[(E)-[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylideneamino]oxy-N-(4-chlorophenyl)acetamide
CID 126380130
N-(4-chlorophenyl)-2-[(E)-(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]oxyacetamide
CID 124552082
N-(4-chlorophenyl)-2-[(E)-(3-chloro-4-phenylmethoxyphenyl)methylideneamino]oxyacetamide
CID 126380354
2-[(4-ethoxy-3-methoxyphenyl)methylideneamino]oxy-N-phenylacetamide
CID 4682317
N-(4-tert-butylphenyl)-2-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]oxyacetamide
CID 7662805
ethyl 4-[[2-[(4-chlorophenyl)methylideneamino]oxyacetyl]amino]benzoate
CID 2128037

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-(3-bromo-4-ethoxyphenyl)methylideneamino]oxy-N-(4-chlorophenyl)acetamide?
The IUPAC name of 2-[(E)-(3-bromo-4-ethoxyphenyl)methylideneamino]oxy-N-(4-chlorophenyl)acetamide (CID 124551705) is 2-[(E)-(3-bromo-4-ethoxyphenyl)methylideneamino]oxy-N-(4-chlorophenyl)acetamide.
What is the SMILES notation for 2-[(E)-(3-bromo-4-ethoxyphenyl)methylideneamino]oxy-N-(4-chlorophenyl)acetamide?
The canonical SMILES for 2-[(E)-(3-bromo-4-ethoxyphenyl)methylideneamino]oxy-N-(4-chlorophenyl)acetamide is CCOc1ccc(/C=N/OCC(=O)Nc2ccc(Cl)cc2)cc1Br.
What is the InChIKey of 2-[(E)-(3-bromo-4-ethoxyphenyl)methylideneamino]oxy-N-(4-chlorophenyl)acetamide?
The InChIKey is JNKUWPLEBWGGMZ-KEBDBYFISA-N. The full InChI is InChI=1S/C17H16BrClN2O3/c1-2-23-16-8-3-12(9-15(16)18)10-20-24-11-17(22)21-14-6-4-13(19)5-7-14/h3-10H,2,11H2,1H3,(H,21,22)/b20-10+.
What are the key properties of 2-[(E)-(3-bromo-4-ethoxyphenyl)methylideneamino]oxy-N-(4-chlorophenyl)acetamide?
2-[(E)-(3-bromo-4-ethoxyphenyl)methylideneamino]oxy-N-(4-chlorophenyl)acetamide has a molecular weight of 411.68 g/mol, XLogP of 4.49, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(3-bromo-4-ethoxyphenyl)methylideneamino]oxy-N-(4-chlorophenyl)acetamide is sourced from PubChem (CID 124551705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).