ethyl (3Z)-3-[[2-(2,4-dibromophenoxy)acetyl]hydrazinylidene]-2-methylbutanoate

C15H18Br2N2O4 — CID 6124106

IUPACethyl (3Z)-3-[[2-(2,4-dibromophenoxy)acetyl]hydrazinylidene]-2-methylbutanoate
SMILESCCOC(=O)C(C)/C(C)=N\NC(=O)COc1ccc(Br)cc1Br
InChIInChI=1S/C15H18Br2N2O4/c1-4-22-15(21)9(2)10(3)18-19-14(20)8-23-13-6-5-11(16)7-12(13)17/h5-7,9H,4,8H2,1-3H3,(H,19,20)/b18-10-
InChIKeyUJUOBUFCXCNLMS-ZDLGFXPLSA-N
MW450.13 g/mol
LogP3.28
Rot. Bonds7

About ethyl (3Z)-3-[[2-(2,4-dibromophenoxy)acetyl]hydrazinylidene]-2-methylbutanoate

ethyl (3Z)-3-[[2-(2,4-dibromophenoxy)acetyl]hydrazinylidene]-2-methylbutanoate (PubChem CID 6124106) has the molecular formula C15H18Br2N2O4 and a molecular weight of 450.13 g/mol. Its IUPAC name is ethyl (3Z)-3-[[2-(2,4-dibromophenoxy)acetyl]hydrazinylidene]-2-methylbutanoate.

Molecular Properties

Compound Nameethyl (3Z)-3-[[2-(2,4-dibromophenoxy)acetyl]hydrazinylidene]-2-methylbutanoate
PubChem CID6124106
Molecular FormulaC15H18Br2N2O4
Molecular Weight450.13 g/mol
Exact Mass447.96
IUPAC Nameethyl (3Z)-3-[[2-(2,4-dibromophenoxy)acetyl]hydrazinylidene]-2-methylbutanoate
SMILESCCOC(=O)C(C)/C(C)=N\NC(=O)COc1ccc(Br)cc1Br
InChIInChI=1S/C15H18Br2N2O4/c1-4-22-15(21)9(2)10(3)18-19-14(20)8-23-13-6-5-11(16)7-12(13)17/h5-7,9H,4,8H2,1-3H3,(H,19,20)/b18-10-
InChIKeyUJUOBUFCXCNLMS-ZDLGFXPLSA-N
XLogP3.28
TPSA76.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.13
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(2,4-dibromophenoxy)-N-[(E)-1-phenylpropylideneamino]acetamide
CID 6123990
2-(2,4-dibromophenoxy)-N-[(Z)-1-phenylpentylideneamino]acetamide
CID 6527293
2-(2,4-dibromophenoxy)-N-[(E)-1-phenylpentylideneamino]acetamide
CID 6123992
2-(4-bromo-2-chlorophenoxy)-N-[(E)-pentan-2-ylideneamino]acetamide
CID 54785679
2-(2,4-dibromophenoxy)-N-methoxyacetamide
CID 33099382
2-(4-bromo-2-methylphenoxy)-N-[(E)-heptan-2-ylideneamino]acetamide
CID 54784717
(2R)-2-[[2-(2,4-dibromophenoxy)acetyl]amino]propanoic acid
CID 54991092
(3Z)-3-[[2-(2-bromo-4-methylphenoxy)acetyl]hydrazinylidene]-N-[(2S)-butan-2-yl]butanamide
CID 7219126
1-(2,4-dibromophenoxy)butan-2-one
CID 62038524
ethyl (2S,3E)-3-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]hydrazinylidene]-2-ethylbutanoate
CID 42370751
ethyl (2R,3Z)-3-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]hydrazinylidene]-2-ethylbutanoate
CID 98073371
2-(2,4-dibromophenoxy)-N-(1-methoxypropan-2-yl)acetamide
CID 18161002

Frequently Asked Questions

What is the IUPAC name of ethyl (3Z)-3-[[2-(2,4-dibromophenoxy)acetyl]hydrazinylidene]-2-methylbutanoate?
The IUPAC name of ethyl (3Z)-3-[[2-(2,4-dibromophenoxy)acetyl]hydrazinylidene]-2-methylbutanoate (CID 6124106) is ethyl (3Z)-3-[[2-(2,4-dibromophenoxy)acetyl]hydrazinylidene]-2-methylbutanoate.
What is the SMILES notation for ethyl (3Z)-3-[[2-(2,4-dibromophenoxy)acetyl]hydrazinylidene]-2-methylbutanoate?
The canonical SMILES for ethyl (3Z)-3-[[2-(2,4-dibromophenoxy)acetyl]hydrazinylidene]-2-methylbutanoate is CCOC(=O)C(C)/C(C)=N\NC(=O)COc1ccc(Br)cc1Br.
What is the InChIKey of ethyl (3Z)-3-[[2-(2,4-dibromophenoxy)acetyl]hydrazinylidene]-2-methylbutanoate?
The InChIKey is UJUOBUFCXCNLMS-ZDLGFXPLSA-N. The full InChI is InChI=1S/C15H18Br2N2O4/c1-4-22-15(21)9(2)10(3)18-19-14(20)8-23-13-6-5-11(16)7-12(13)17/h5-7,9H,4,8H2,1-3H3,(H,19,20)/b18-10-.
What are the key properties of ethyl (3Z)-3-[[2-(2,4-dibromophenoxy)acetyl]hydrazinylidene]-2-methylbutanoate?
ethyl (3Z)-3-[[2-(2,4-dibromophenoxy)acetyl]hydrazinylidene]-2-methylbutanoate has a molecular weight of 450.13 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3Z)-3-[[2-(2,4-dibromophenoxy)acetyl]hydrazinylidene]-2-methylbutanoate is sourced from PubChem (CID 6124106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).