2-(2-bromo-4-ethylphenoxy)acetohydrazide

C10H13BrN2O2 — CID 965908

IUPAC2-(2-bromo-4-ethylphenoxy)acetohydrazide
SMILESCCc1ccc(OCC(=O)NN)c(Br)c1
InChIInChI=1S/C10H13BrN2O2/c1-2-7-3-4-9(8(11)5-7)15-6-10(14)13-12/h3-5H,2,6,12H2,1H3,(H,13,14)
InChIKeyHZLJVRJNXTZPIC-UHFFFAOYSA-N
MW273.13 g/mol
LogP1.38
Rot. Bonds4

About 2-(2-bromo-4-ethylphenoxy)acetohydrazide

2-(2-bromo-4-ethylphenoxy)acetohydrazide (PubChem CID 965908) has the molecular formula C10H13BrN2O2 and a molecular weight of 273.13 g/mol. Its IUPAC name is 2-(2-bromo-4-ethylphenoxy)acetohydrazide.

Molecular Properties

Compound Name2-(2-bromo-4-ethylphenoxy)acetohydrazide
PubChem CID965908
Molecular FormulaC10H13BrN2O2
Molecular Weight273.13 g/mol
Exact Mass272.02
IUPAC Name2-(2-bromo-4-ethylphenoxy)acetohydrazide
SMILESCCc1ccc(OCC(=O)NN)c(Br)c1
InChIInChI=1S/C10H13BrN2O2/c1-2-7-3-4-9(8(11)5-7)15-6-10(14)13-12/h3-5H,2,6,12H2,1H3,(H,13,14)
InChIKeyHZLJVRJNXTZPIC-UHFFFAOYSA-N
XLogP1.38
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.13
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2-bromo-4-ethylphenoxy)-N-tert-butylacetamide
CID 833491
2-(2-bromo-4-methoxyphenoxy)acetohydrazide
CID 3936634
2-(2-bromo-4-ethylphenoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 988892
1-N',4-N'-bis[2-(2-bromo-4-ethylphenoxy)acetyl]cyclohexane-1,4-dicarbohydrazide
CID 4927256
N'-[2-(4-bromo-2,6-dimethylphenoxy)acetyl]-2-(2-bromo-4-ethylphenoxy)acetohydrazide
CID 3343767
2-(2-bromo-4-ethylphenoxy)-N'-[2-(2,6-dimethylphenoxy)acetyl]acetohydrazide
CID 4504195
2-(2-bromo-4-ethylphenoxy)-N,N-dimethylacetamide
CID 894150
2-(2-bromo-4-ethylphenoxy)-N-(3-bromophenyl)acetamide
CID 19202087
2-(2-bromo-4-ethylphenoxy)-N-(1-phenylethyl)acetamide
CID 2942651
N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-4-fluorobenzohydrazide
CID 4629070
N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-2-chlorobenzohydrazide
CID 4629077
2-[4-(aminomethyl)-2-bromophenoxy]-N-methylacetamide
CID 63046001

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-ethylphenoxy)acetohydrazide?
The IUPAC name of 2-(2-bromo-4-ethylphenoxy)acetohydrazide (CID 965908) is 2-(2-bromo-4-ethylphenoxy)acetohydrazide.
What is the SMILES notation for 2-(2-bromo-4-ethylphenoxy)acetohydrazide?
The canonical SMILES for 2-(2-bromo-4-ethylphenoxy)acetohydrazide is CCc1ccc(OCC(=O)NN)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-ethylphenoxy)acetohydrazide?
The InChIKey is HZLJVRJNXTZPIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O2/c1-2-7-3-4-9(8(11)5-7)15-6-10(14)13-12/h3-5H,2,6,12H2,1H3,(H,13,14).
What are the key properties of 2-(2-bromo-4-ethylphenoxy)acetohydrazide?
2-(2-bromo-4-ethylphenoxy)acetohydrazide has a molecular weight of 273.13 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-ethylphenoxy)acetohydrazide is sourced from PubChem (CID 965908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).