2-(2-bromo-4-tert-butyl-6-chlorophenoxy)acetohydrazide

C12H16BrClN2O2 — CID 54793129

IUPAC2-(2-bromo-4-tert-butyl-6-chlorophenoxy)acetohydrazide
SMILESCC(C)(C)c1cc(Cl)c(OCC(=O)NN)c(Br)c1
InChIInChI=1S/C12H16BrClN2O2/c1-12(2,3)7-4-8(13)11(9(14)5-7)18-6-10(17)16-15/h4-5H,6,15H2,1-3H3,(H,16,17)
InChIKeyLTPAONIPJMUKEY-UHFFFAOYSA-N
MW335.63 g/mol
LogP2.77
Rot. Bonds3

About 2-(2-bromo-4-tert-butyl-6-chlorophenoxy)acetohydrazide

2-(2-bromo-4-tert-butyl-6-chlorophenoxy)acetohydrazide (PubChem CID 54793129) has the molecular formula C12H16BrClN2O2 and a molecular weight of 335.63 g/mol. Its IUPAC name is 2-(2-bromo-4-tert-butyl-6-chlorophenoxy)acetohydrazide.

Molecular Properties

Compound Name2-(2-bromo-4-tert-butyl-6-chlorophenoxy)acetohydrazide
PubChem CID54793129
Molecular FormulaC12H16BrClN2O2
Molecular Weight335.63 g/mol
Exact Mass334.01
IUPAC Name2-(2-bromo-4-tert-butyl-6-chlorophenoxy)acetohydrazide
SMILESCC(C)(C)c1cc(Cl)c(OCC(=O)NN)c(Br)c1
InChIInChI=1S/C12H16BrClN2O2/c1-12(2,3)7-4-8(13)11(9(14)5-7)18-6-10(17)16-15/h4-5H,6,15H2,1-3H3,(H,16,17)
InChIKeyLTPAONIPJMUKEY-UHFFFAOYSA-N
XLogP2.77
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.63
LogP ≤ 52.77
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-6-chloro-4-methylphenoxy)acetohydrazide
CID 54793109
methyl N-[[2-(2-bromo-4,6-dichlorophenoxy)acetyl]amino]carbamate
CID 17096542
2-(2-bromo-4,6-dichlorophenoxy)acetamide
CID 17096616
2-(2,4-dibromo-6-chlorophenoxy)acetamide
CID 91674426
ethyl N-[2-(2,6-dibromo-4-methylphenoxy)acetyl]carbamate
CID 8914727
N'-[2-(2-bromo-4,6-dichlorophenoxy)acetyl]-2-(4-methylphenoxy)acetohydrazide
CID 17096539
2-[4-(2-aminoethyl)-2,6-dibromophenoxy]-N-tert-butylacetamide
CID 107739401
2-(2,4-dichloro-6-prop-2-enylphenoxy)acetohydrazide
CID 54849931
2-(2-bromo-4-methoxyphenoxy)acetohydrazide
CID 3936634
N-[4-[[2-(2-bromo-4,6-dichlorophenoxy)acetyl]amino]phenyl]butanamide
CID 17202569
2-(2-bromo-4,6-dichlorophenoxy)-N-[4-(tert-butylsulfamoyl)phenyl]acetamide
CID 17095347
2-(2-bromo-4-ethylphenoxy)acetohydrazide
CID 965908

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-tert-butyl-6-chlorophenoxy)acetohydrazide?
The IUPAC name of 2-(2-bromo-4-tert-butyl-6-chlorophenoxy)acetohydrazide (CID 54793129) is 2-(2-bromo-4-tert-butyl-6-chlorophenoxy)acetohydrazide.
What is the SMILES notation for 2-(2-bromo-4-tert-butyl-6-chlorophenoxy)acetohydrazide?
The canonical SMILES for 2-(2-bromo-4-tert-butyl-6-chlorophenoxy)acetohydrazide is CC(C)(C)c1cc(Cl)c(OCC(=O)NN)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-tert-butyl-6-chlorophenoxy)acetohydrazide?
The InChIKey is LTPAONIPJMUKEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrClN2O2/c1-12(2,3)7-4-8(13)11(9(14)5-7)18-6-10(17)16-15/h4-5H,6,15H2,1-3H3,(H,16,17).
What are the key properties of 2-(2-bromo-4-tert-butyl-6-chlorophenoxy)acetohydrazide?
2-(2-bromo-4-tert-butyl-6-chlorophenoxy)acetohydrazide has a molecular weight of 335.63 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-tert-butyl-6-chlorophenoxy)acetohydrazide is sourced from PubChem (CID 54793129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).