2-(4-bromo-2,6-dimethylphenoxy)-N-[(E)-[(2E)-2-[[2-(4-bromo-2,6-dimethylphenoxy)acetyl]hydrazinylidene]ethylidene]amino]acetamide

C22H24Br2N4O4 — CID 6894955

IUPAC2-(4-bromo-2,6-dimethylphenoxy)-N-[(E)-[(2E)-2-[[2-(4-bromo-2,6-dimethylphenoxy)acetyl]hydrazinylidene]ethylidene]amino]acetamide
SMILESCc1cc(Br)cc(C)c1OCC(=O)N/N=C/C=N/NC(=O)COc1c(C)cc(Br)cc1C
InChIInChI=1S/C22H24Br2N4O4/c1-13-7-17(23)8-14(2)21(13)31-11-19(29)27-25-5-6-26-28-20(30)12-32-22-15(3)9-18(24)10-16(22)4/h5-10H,11-12H2,1-4H3,(H,27,29)(H,28,30)/b25-5+,26-6+
InChIKeyPWMUHLSIXXONCE-GQBJSJAWSA-N
MW568.27 g/mol
LogP4.11
Rot. Bonds9

About 2-(4-bromo-2,6-dimethylphenoxy)-N-[(E)-[(2E)-2-[[2-(4-bromo-2,6-dimethylphenoxy)acetyl]hydrazinylidene]ethylidene]amino]acetamide

2-(4-bromo-2,6-dimethylphenoxy)-N-[(E)-[(2E)-2-[[2-(4-bromo-2,6-dimethylphenoxy)acetyl]hydrazinylidene]ethylidene]amino]acetamide (PubChem CID 6894955) has the molecular formula C22H24Br2N4O4 and a molecular weight of 568.27 g/mol. Its IUPAC name is 2-(4-bromo-2,6-dimethylphenoxy)-N-[(E)-[(2E)-2-[[2-(4-bromo-2,6-dimethylphenoxy)acetyl]hydrazinylidene]ethylidene]amino]acetamide.

Molecular Properties

Compound Name2-(4-bromo-2,6-dimethylphenoxy)-N-[(E)-[(2E)-2-[[2-(4-bromo-2,6-dimethylphenoxy)acetyl]hydrazinylidene]ethylidene]amino]acetamide
PubChem CID6894955
Molecular FormulaC22H24Br2N4O4
Molecular Weight568.27 g/mol
Exact Mass566.02
IUPAC Name2-(4-bromo-2,6-dimethylphenoxy)-N-[(E)-[(2E)-2-[[2-(4-bromo-2,6-dimethylphenoxy)acetyl]hydrazinylidene]ethylidene]amino]acetamide
SMILESCc1cc(Br)cc(C)c1OCC(=O)N/N=C/C=N/NC(=O)COc1c(C)cc(Br)cc1C
InChIInChI=1S/C22H24Br2N4O4/c1-13-7-17(23)8-14(2)21(13)31-11-19(29)27-25-5-6-26-28-20(30)12-32-22-15(3)9-18(24)10-16(22)4/h5-10H,11-12H2,1-4H3,(H,27,29)(H,28,30)/b25-5+,26-6+
InChIKeyPWMUHLSIXXONCE-GQBJSJAWSA-N
XLogP4.11
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500568.27
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-bromo-2,6-dimethylphenoxy)-N-[2-[[2-(4-bromo-2,6-dimethylphenoxy)acetyl]hydrazinylidene]ethylideneamino]acetamide
CID 2195651
2-(4-bromo-2,6-dimethylphenoxy)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
CID 19183254
2-(4-bromo-2,6-dimethylphenoxy)-N-[(E)-(4-propoxyphenyl)methylideneamino]acetamide
CID 19182516
2-(4-bromo-2,6-dimethylphenoxy)-N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]acetamide
CID 19182694
2-(4-bromo-2,6-dimethylphenoxy)-N-[(2-methyl-1H-indol-3-yl)methylideneamino]acetamide
CID 4660446
2-(4-bromo-2,6-dimethylphenoxy)-N-[(1,2-dimethylindol-3-yl)methylideneamino]acetamide
CID 1216078
2-(4-bromo-2,6-dimethylphenoxy)-N-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]acetamide
CID 5438506
2-(4-bromo-2,6-dimethylphenoxy)-N-[(E)-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylideneamino]acetamide
CID 135472615
N-[(E)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]-2-(2,6-dimethylphenoxy)acetamide
CID 135644038
N'-[2-(4-bromo-2,6-dimethylphenoxy)acetyl]-2-phenylacetohydrazide
CID 3341673
2-(4-bromo-2,6-dimethylphenoxy)-N-cyclododecylacetamide
CID 19175356
N-(cyclooctylideneamino)-2-(2,4-dibromo-6-methylphenoxy)acetamide
CID 54786862

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2,6-dimethylphenoxy)-N-[(E)-[(2E)-2-[[2-(4-bromo-2,6-dimethylphenoxy)acetyl]hydrazinylidene]ethylidene]amino]acetamide?
The IUPAC name of 2-(4-bromo-2,6-dimethylphenoxy)-N-[(E)-[(2E)-2-[[2-(4-bromo-2,6-dimethylphenoxy)acetyl]hydrazinylidene]ethylidene]amino]acetamide (CID 6894955) is 2-(4-bromo-2,6-dimethylphenoxy)-N-[(E)-[(2E)-2-[[2-(4-bromo-2,6-dimethylphenoxy)acetyl]hydrazinylidene]ethylidene]amino]acetamide.
What is the SMILES notation for 2-(4-bromo-2,6-dimethylphenoxy)-N-[(E)-[(2E)-2-[[2-(4-bromo-2,6-dimethylphenoxy)acetyl]hydrazinylidene]ethylidene]amino]acetamide?
The canonical SMILES for 2-(4-bromo-2,6-dimethylphenoxy)-N-[(E)-[(2E)-2-[[2-(4-bromo-2,6-dimethylphenoxy)acetyl]hydrazinylidene]ethylidene]amino]acetamide is Cc1cc(Br)cc(C)c1OCC(=O)N/N=C/C=N/NC(=O)COc1c(C)cc(Br)cc1C.
What is the InChIKey of 2-(4-bromo-2,6-dimethylphenoxy)-N-[(E)-[(2E)-2-[[2-(4-bromo-2,6-dimethylphenoxy)acetyl]hydrazinylidene]ethylidene]amino]acetamide?
The InChIKey is PWMUHLSIXXONCE-GQBJSJAWSA-N. The full InChI is InChI=1S/C22H24Br2N4O4/c1-13-7-17(23)8-14(2)21(13)31-11-19(29)27-25-5-6-26-28-20(30)12-32-22-15(3)9-18(24)10-16(22)4/h5-10H,11-12H2,1-4H3,(H,27,29)(H,28,30)/b25-5+,26-6+.
What are the key properties of 2-(4-bromo-2,6-dimethylphenoxy)-N-[(E)-[(2E)-2-[[2-(4-bromo-2,6-dimethylphenoxy)acetyl]hydrazinylidene]ethylidene]amino]acetamide?
2-(4-bromo-2,6-dimethylphenoxy)-N-[(E)-[(2E)-2-[[2-(4-bromo-2,6-dimethylphenoxy)acetyl]hydrazinylidene]ethylidene]amino]acetamide has a molecular weight of 568.27 g/mol, XLogP of 4.11, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2,6-dimethylphenoxy)-N-[(E)-[(2E)-2-[[2-(4-bromo-2,6-dimethylphenoxy)acetyl]hydrazinylidene]ethylidene]amino]acetamide is sourced from PubChem (CID 6894955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).