2-(2,6-dibromo-4-methylphenoxy)-N-[(4-hydroxyphenyl)methylideneamino]acetamide

C16H14Br2N2O3 — CID 1034891

IUPAC2-(2,6-dibromo-4-methylphenoxy)-N-[(4-hydroxyphenyl)methylideneamino]acetamide
SMILESCc1cc(Br)c(OCC(=O)NN=Cc2ccc(O)cc2)c(Br)c1
InChIInChI=1S/C16H14Br2N2O3/c1-10-6-13(17)16(14(18)7-10)23-9-15(22)20-19-8-11-2-4-12(21)5-3-11/h2-8,21H,9H2,1H3,(H,20,22)
InChIKeyFWEOEUWFBUBMLJ-UHFFFAOYSA-N
MW442.11 g/mol
LogP3.75
Rot. Bonds5

About 2-(2,6-dibromo-4-methylphenoxy)-N-[(4-hydroxyphenyl)methylideneamino]acetamide

2-(2,6-dibromo-4-methylphenoxy)-N-[(4-hydroxyphenyl)methylideneamino]acetamide (PubChem CID 1034891) has the molecular formula C16H14Br2N2O3 and a molecular weight of 442.11 g/mol. Its IUPAC name is 2-(2,6-dibromo-4-methylphenoxy)-N-[(4-hydroxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2,6-dibromo-4-methylphenoxy)-N-[(4-hydroxyphenyl)methylideneamino]acetamide
PubChem CID1034891
Molecular FormulaC16H14Br2N2O3
Molecular Weight442.11 g/mol
Exact Mass439.94
IUPAC Name2-(2,6-dibromo-4-methylphenoxy)-N-[(4-hydroxyphenyl)methylideneamino]acetamide
SMILESCc1cc(Br)c(OCC(=O)NN=Cc2ccc(O)cc2)c(Br)c1
InChIInChI=1S/C16H14Br2N2O3/c1-10-6-13(17)16(14(18)7-10)23-9-15(22)20-19-8-11-2-4-12(21)5-3-11/h2-8,21H,9H2,1H3,(H,20,22)
InChIKeyFWEOEUWFBUBMLJ-UHFFFAOYSA-N
XLogP3.75
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.11
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(2,6-dibromo-4-methylphenoxy)-N-[(4-hydroxyphenyl)methylideneamino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,6-dibromo-4-methylphenoxy)-N-[(Z)-(4-hydroxy-3,5-diiodophenyl)methylideneamino]acetamide
CID 136815939
2-(2-bromo-4,6-dimethylphenoxy)-N-(pyridin-4-ylmethylideneamino)acetamide
CID 28628688
2-(2-bromo-4,6-dimethylphenoxy)-N-[(4-hydroxy-3-iodophenyl)methylideneamino]acetamide
CID 3928116
2-(2-bromo-4-methylphenoxy)-N-[[4-[[[2-(2-bromo-4-methylphenoxy)acetyl]hydrazinylidene]methyl]phenyl]methylideneamino]acetamide
CID 5087700
2-(2,6-dibromo-4-methylphenoxy)-N-[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]acetamide
CID 135688670
2-(2-bromo-4,6-dimethylphenoxy)-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 135644402
2-(2-bromo-4-chlorophenoxy)-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide
CID 135479274
2-(2-bromophenoxy)-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide
CID 135610844
2-(2-bromo-4-ethylphenoxy)-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide
CID 135588989
2-(2-bromo-4-propan-2-ylphenoxy)-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide
CID 135588917
2-(2,6-dibromo-4-methoxyphenoxy)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 135717336
N-[(E)-(4-hydroxy-3-iodophenyl)methylideneamino]-2-(2,4,6-tribromophenoxy)acetamide
CID 135679327

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dibromo-4-methylphenoxy)-N-[(4-hydroxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(2,6-dibromo-4-methylphenoxy)-N-[(4-hydroxyphenyl)methylideneamino]acetamide (CID 1034891) is 2-(2,6-dibromo-4-methylphenoxy)-N-[(4-hydroxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(2,6-dibromo-4-methylphenoxy)-N-[(4-hydroxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(2,6-dibromo-4-methylphenoxy)-N-[(4-hydroxyphenyl)methylideneamino]acetamide is Cc1cc(Br)c(OCC(=O)NN=Cc2ccc(O)cc2)c(Br)c1.
What is the InChIKey of 2-(2,6-dibromo-4-methylphenoxy)-N-[(4-hydroxyphenyl)methylideneamino]acetamide?
The InChIKey is FWEOEUWFBUBMLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Br2N2O3/c1-10-6-13(17)16(14(18)7-10)23-9-15(22)20-19-8-11-2-4-12(21)5-3-11/h2-8,21H,9H2,1H3,(H,20,22).
What are the key properties of 2-(2,6-dibromo-4-methylphenoxy)-N-[(4-hydroxyphenyl)methylideneamino]acetamide?
2-(2,6-dibromo-4-methylphenoxy)-N-[(4-hydroxyphenyl)methylideneamino]acetamide has a molecular weight of 442.11 g/mol, XLogP of 3.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dibromo-4-methylphenoxy)-N-[(4-hydroxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 1034891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).