2-(4-chlorophenoxy)-2-methylpropanehydrazide

C10H13ClN2O2 — CID 696407

IUPAC2-(4-chlorophenoxy)-2-methylpropanehydrazide
SMILESCC(C)(Oc1ccc(Cl)cc1)C(=O)NN
InChIInChI=1S/C10H13ClN2O2/c1-10(2,9(14)13-12)15-8-5-3-7(11)4-6-8/h3-6H,12H2,1-2H3,(H,13,14)
InChIKeyHHDXKYSLBTXCGP-UHFFFAOYSA-N
MW228.68 g/mol
LogP1.49
Rot. Bonds3

About 2-(4-chlorophenoxy)-2-methylpropanehydrazide

2-(4-chlorophenoxy)-2-methylpropanehydrazide (PubChem CID 696407) has the molecular formula C10H13ClN2O2 and a molecular weight of 228.68 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-2-methylpropanehydrazide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-2-methylpropanehydrazide
PubChem CID696407
Molecular FormulaC10H13ClN2O2
Molecular Weight228.68 g/mol
Exact Mass228.07
IUPAC Name2-(4-chlorophenoxy)-2-methylpropanehydrazide
SMILESCC(C)(Oc1ccc(Cl)cc1)C(=O)NN
InChIInChI=1S/C10H13ClN2O2/c1-10(2,9(14)13-12)15-8-5-3-7(11)4-6-8/h3-6H,12H2,1-2H3,(H,13,14)
InChIKeyHHDXKYSLBTXCGP-UHFFFAOYSA-N
XLogP1.49
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 51.49
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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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-2-methylpropanehydrazide?
The IUPAC name of 2-(4-chlorophenoxy)-2-methylpropanehydrazide (CID 696407) is 2-(4-chlorophenoxy)-2-methylpropanehydrazide.
What is the SMILES notation for 2-(4-chlorophenoxy)-2-methylpropanehydrazide?
The canonical SMILES for 2-(4-chlorophenoxy)-2-methylpropanehydrazide is CC(C)(Oc1ccc(Cl)cc1)C(=O)NN.
What is the InChIKey of 2-(4-chlorophenoxy)-2-methylpropanehydrazide?
The InChIKey is HHDXKYSLBTXCGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O2/c1-10(2,9(14)13-12)15-8-5-3-7(11)4-6-8/h3-6H,12H2,1-2H3,(H,13,14).
What are the key properties of 2-(4-chlorophenoxy)-2-methylpropanehydrazide?
2-(4-chlorophenoxy)-2-methylpropanehydrazide has a molecular weight of 228.68 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-2-methylpropanehydrazide is sourced from PubChem (CID 696407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).