2-(2,6-dibromo-4-methylphenoxy)-N-[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]acetamide

C17H16Br2N2O4 — CID 135688670

IUPAC2-(2,6-dibromo-4-methylphenoxy)-N-[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]acetamide
SMILESCOc1ccc(/C=N/NC(=O)COc2c(Br)cc(C)cc2Br)c(O)c1
InChIInChI=1S/C17H16Br2N2O4/c1-10-5-13(18)17(14(19)6-10)25-9-16(23)21-20-8-11-3-4-12(24-2)7-15(11)22/h3-8,22H,9H2,1-2H3,(H,21,23)/b20-8+
InChIKeySLBIRKDQTAODIV-DNTJNYDQSA-N
MW472.13 g/mol
LogP3.76
Rot. Bonds6

About 2-(2,6-dibromo-4-methylphenoxy)-N-[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]acetamide

2-(2,6-dibromo-4-methylphenoxy)-N-[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]acetamide (PubChem CID 135688670) has the molecular formula C17H16Br2N2O4 and a molecular weight of 472.13 g/mol. Its IUPAC name is 2-(2,6-dibromo-4-methylphenoxy)-N-[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2,6-dibromo-4-methylphenoxy)-N-[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]acetamide
PubChem CID135688670
Molecular FormulaC17H16Br2N2O4
Molecular Weight472.13 g/mol
Exact Mass469.95
IUPAC Name2-(2,6-dibromo-4-methylphenoxy)-N-[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]acetamide
SMILESCOc1ccc(/C=N/NC(=O)COc2c(Br)cc(C)cc2Br)c(O)c1
InChIInChI=1S/C17H16Br2N2O4/c1-10-5-13(18)17(14(19)6-10)25-9-16(23)21-20-8-11-3-4-12(24-2)7-15(11)22/h3-8,22H,9H2,1-2H3,(H,21,23)/b20-8+
InChIKeySLBIRKDQTAODIV-DNTJNYDQSA-N
XLogP3.76
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.13
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2,6-dibromo-4-methoxyphenoxy)-N-[(Z)-(2-hydroxy-5-methylphenyl)methylideneamino]acetamide
CID 136749332
2-(2-bromo-4-methoxyphenoxy)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]acetamide
CID 135479468
2-(2,6-dibromo-4-methylphenoxy)-N-[(4-hydroxyphenyl)methylideneamino]acetamide
CID 1034891
2-(2,4-dibromo-6-methoxyphenoxy)-N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]acetamide
CID 136749314
2-(3,5-dimethylphenoxy)-N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]acetamide
CID 135614054
N-[(Z)-(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]-2-(2,6-dibromo-4-methoxyphenoxy)acetamide
CID 136720696
N-[(2-hydroxy-4-methoxyphenyl)methylideneamino]-2-(4-propylphenoxy)acetamide
CID 135726599
2-(2,6-dibromo-4-methoxyphenoxy)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 135717336
N-[(2-hydroxy-4-methoxyphenyl)methylideneamino]-2-(2-propan-2-ylphenoxy)acetamide
CID 135603998
N-[(Z)-(2-hydroxy-4-methoxyphenyl)methylideneamino]-2-(2-methoxy-4,6-dinitrophenoxy)acetamide
CID 136720692
2-(2-bromo-4,6-dimethylphenoxy)-N-[(E)-(2-hydroxy-3-methylphenyl)methylideneamino]acetamide
CID 135716591
2-(4-bromo-2,6-dimethylphenoxy)-N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]acetamide
CID 19182694

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dibromo-4-methylphenoxy)-N-[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(2,6-dibromo-4-methylphenoxy)-N-[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]acetamide (CID 135688670) is 2-(2,6-dibromo-4-methylphenoxy)-N-[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(2,6-dibromo-4-methylphenoxy)-N-[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(2,6-dibromo-4-methylphenoxy)-N-[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]acetamide is COc1ccc(/C=N/NC(=O)COc2c(Br)cc(C)cc2Br)c(O)c1.
What is the InChIKey of 2-(2,6-dibromo-4-methylphenoxy)-N-[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]acetamide?
The InChIKey is SLBIRKDQTAODIV-DNTJNYDQSA-N. The full InChI is InChI=1S/C17H16Br2N2O4/c1-10-5-13(18)17(14(19)6-10)25-9-16(23)21-20-8-11-3-4-12(24-2)7-15(11)22/h3-8,22H,9H2,1-2H3,(H,21,23)/b20-8+.
What are the key properties of 2-(2,6-dibromo-4-methylphenoxy)-N-[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]acetamide?
2-(2,6-dibromo-4-methylphenoxy)-N-[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]acetamide has a molecular weight of 472.13 g/mol, XLogP of 3.76, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dibromo-4-methylphenoxy)-N-[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 135688670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).