2-(2,3-dimethylphenoxy)-N-[(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]acetamide

C17H15Br3N2O3 — CID 71950391

IUPAC2-(2,3-dimethylphenoxy)-N-[(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]acetamide
SMILESCc1cccc(OCC(=O)NN=Cc2c(Br)cc(Br)c(O)c2Br)c1C
InChIInChI=1S/C17H15Br3N2O3/c1-9-4-3-5-14(10(9)2)25-8-15(23)22-21-7-11-12(18)6-13(19)17(24)16(11)20/h3-7,24H,8H2,1-2H3,(H,22,23)
InChIKeySEIYENUCCMZIDA-UHFFFAOYSA-N
MW535.03 g/mol
LogP4.83
Rot. Bonds5

About 2-(2,3-dimethylphenoxy)-N-[(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]acetamide

2-(2,3-dimethylphenoxy)-N-[(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]acetamide (PubChem CID 71950391) has the molecular formula C17H15Br3N2O3 and a molecular weight of 535.03 g/mol. Its IUPAC name is 2-(2,3-dimethylphenoxy)-N-[(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2,3-dimethylphenoxy)-N-[(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]acetamide
PubChem CID71950391
Molecular FormulaC17H15Br3N2O3
Molecular Weight535.03 g/mol
Exact Mass531.86
IUPAC Name2-(2,3-dimethylphenoxy)-N-[(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]acetamide
SMILESCc1cccc(OCC(=O)NN=Cc2c(Br)cc(Br)c(O)c2Br)c1C
InChIInChI=1S/C17H15Br3N2O3/c1-9-4-3-5-14(10(9)2)25-8-15(23)22-21-7-11-12(18)6-13(19)17(24)16(11)20/h3-7,24H,8H2,1-2H3,(H,22,23)
InChIKeySEIYENUCCMZIDA-UHFFFAOYSA-N
XLogP4.83
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500535.03
LogP ≤ 54.83
H-Bond Donors ≤ 52
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-(4-chloro-3,5-dimethylphenoxy)-N-[(Z)-(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]acetamide
CID 94842273
2-(2,3-dimethylphenoxy)-N-[(E)-(2-hydroxy-3-methylphenyl)methylideneamino]acetamide
CID 135590182
N-[(E)-(4-bromophenyl)methylideneamino]-2-(2,3-dimethylphenoxy)acetamide
CID 19182261
N-[(E)-(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]-2-(2,4,6-tribromophenoxy)acetamide
CID 44615960
2-(2,3-dimethylphenoxy)-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide
CID 957917
N-[(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]-2-(2,4,6-trichlorophenoxy)acetamide
CID 5209951
N-[(E)-[5-[(3-bromophenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]-2-(2,3-dimethylphenoxy)acetamide
CID 135590282
N-[(3-chlorophenyl)methylideneamino]-2-(2,3-dimethylphenoxy)acetamide
CID 957902
2-(2,3-dimethylphenoxy)-N-[(Z)-(4-hydroxy-3-iodophenyl)methylideneamino]acetamide
CID 135643998
N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-2-(2,3-dimethylphenoxy)acetamide
CID 5426190
N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2-(2,3-dimethylphenoxy)acetamide
CID 135884295
2-(2,3-dimethylphenoxy)-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]acetamide
CID 135922503

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylphenoxy)-N-[(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(2,3-dimethylphenoxy)-N-[(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]acetamide (CID 71950391) is 2-(2,3-dimethylphenoxy)-N-[(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(2,3-dimethylphenoxy)-N-[(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(2,3-dimethylphenoxy)-N-[(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]acetamide is Cc1cccc(OCC(=O)NN=Cc2c(Br)cc(Br)c(O)c2Br)c1C.
What is the InChIKey of 2-(2,3-dimethylphenoxy)-N-[(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]acetamide?
The InChIKey is SEIYENUCCMZIDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Br3N2O3/c1-9-4-3-5-14(10(9)2)25-8-15(23)22-21-7-11-12(18)6-13(19)17(24)16(11)20/h3-7,24H,8H2,1-2H3,(H,22,23).
What are the key properties of 2-(2,3-dimethylphenoxy)-N-[(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]acetamide?
2-(2,3-dimethylphenoxy)-N-[(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]acetamide has a molecular weight of 535.03 g/mol, XLogP of 4.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylphenoxy)-N-[(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 71950391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).