2-(2-bromo-6-chloro-4-methylphenoxy)acetohydrazide

C9H10BrClN2O2 — CID 54793109

IUPAC2-(2-bromo-6-chloro-4-methylphenoxy)acetohydrazide
SMILESCc1cc(Cl)c(OCC(=O)NN)c(Br)c1
InChIInChI=1S/C9H10BrClN2O2/c1-5-2-6(10)9(7(11)3-5)15-4-8(14)13-12/h2-3H,4,12H2,1H3,(H,13,14)
InChIKeyFEBDRMGHPLIVME-UHFFFAOYSA-N
MW293.55 g/mol
LogP1.78
Rot. Bonds3

About 2-(2-bromo-6-chloro-4-methylphenoxy)acetohydrazide

2-(2-bromo-6-chloro-4-methylphenoxy)acetohydrazide (PubChem CID 54793109) has the molecular formula C9H10BrClN2O2 and a molecular weight of 293.55 g/mol. Its IUPAC name is 2-(2-bromo-6-chloro-4-methylphenoxy)acetohydrazide.

Molecular Properties

Compound Name2-(2-bromo-6-chloro-4-methylphenoxy)acetohydrazide
PubChem CID54793109
Molecular FormulaC9H10BrClN2O2
Molecular Weight293.55 g/mol
Exact Mass291.96
IUPAC Name2-(2-bromo-6-chloro-4-methylphenoxy)acetohydrazide
SMILESCc1cc(Cl)c(OCC(=O)NN)c(Br)c1
InChIInChI=1S/C9H10BrClN2O2/c1-5-2-6(10)9(7(11)3-5)15-4-8(14)13-12/h2-3H,4,12H2,1H3,(H,13,14)
InChIKeyFEBDRMGHPLIVME-UHFFFAOYSA-N
XLogP1.78
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.55
LogP ≤ 51.78
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-tert-butyl-6-chlorophenoxy)acetohydrazide
CID 54793129
ethyl N-[2-(2,6-dibromo-4-methylphenoxy)acetyl]carbamate
CID 8914727
2-(2-bromo-6-chloro-4-methylphenoxy)ethanamine
CID 84711241
N'-[2-(2-bromo-4,6-dichlorophenoxy)acetyl]-2-(4-methylphenoxy)acetohydrazide
CID 17096539
2-(4-bromo-2-chloro-6-methylphenoxy)-N-(3,5-dimethylphenyl)acetamide
CID 7233561
2-(2,4-dibromo-6-chlorophenoxy)acetamide
CID 91674426
methyl N-[[2-(2-bromo-4,6-dichlorophenoxy)acetyl]amino]carbamate
CID 17096542
2-(2-bromo-4,6-dimethylphenoxy)-N-(2,4-dichlorophenyl)acetamide
CID 23909609
2-(2-bromo-6-chloro-4-methylphenoxy)-N,N-dimethylethanamine;oxalic acid
CID 2935678
2-(4-bromo-2,6-dimethylphenoxy)-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 1191397
2-(2-bromo-4,6-dichlorophenoxy)acetamide
CID 17096616
2-(2-bromo-4,6-dichlorophenoxy)-N-(3,4-dimethylphenyl)acetamide
CID 17095271

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-6-chloro-4-methylphenoxy)acetohydrazide?
The IUPAC name of 2-(2-bromo-6-chloro-4-methylphenoxy)acetohydrazide (CID 54793109) is 2-(2-bromo-6-chloro-4-methylphenoxy)acetohydrazide.
What is the SMILES notation for 2-(2-bromo-6-chloro-4-methylphenoxy)acetohydrazide?
The canonical SMILES for 2-(2-bromo-6-chloro-4-methylphenoxy)acetohydrazide is Cc1cc(Cl)c(OCC(=O)NN)c(Br)c1.
What is the InChIKey of 2-(2-bromo-6-chloro-4-methylphenoxy)acetohydrazide?
The InChIKey is FEBDRMGHPLIVME-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrClN2O2/c1-5-2-6(10)9(7(11)3-5)15-4-8(14)13-12/h2-3H,4,12H2,1H3,(H,13,14).
What are the key properties of 2-(2-bromo-6-chloro-4-methylphenoxy)acetohydrazide?
2-(2-bromo-6-chloro-4-methylphenoxy)acetohydrazide has a molecular weight of 293.55 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-6-chloro-4-methylphenoxy)acetohydrazide is sourced from PubChem (CID 54793109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).