1-(4-chlorophenyl)-3-(methoxymethoxy)cyclobutane-1-carbohydrazide

C13H17ClN2O3 — CID 22722149

IUPAC1-(4-chlorophenyl)-3-(methoxymethoxy)cyclobutane-1-carbohydrazide
SMILESCOCOC1CC(C(=O)NN)(c2ccc(Cl)cc2)C1
InChIInChI=1S/C13H17ClN2O3/c1-18-8-19-11-6-13(7-11,12(17)16-15)9-2-4-10(14)5-3-9/h2-5,11H,6-8,15H2,1H3,(H,16,17)
InChIKeyGDWNNMKONNDXNG-UHFFFAOYSA-N
MW284.74 g/mol
LogP1.35
Rot. Bonds5

About 1-(4-chlorophenyl)-3-(methoxymethoxy)cyclobutane-1-carbohydrazide

1-(4-chlorophenyl)-3-(methoxymethoxy)cyclobutane-1-carbohydrazide (PubChem CID 22722149) has the molecular formula C13H17ClN2O3 and a molecular weight of 284.74 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(methoxymethoxy)cyclobutane-1-carbohydrazide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(methoxymethoxy)cyclobutane-1-carbohydrazide
PubChem CID22722149
Molecular FormulaC13H17ClN2O3
Molecular Weight284.74 g/mol
Exact Mass284.09
IUPAC Name1-(4-chlorophenyl)-3-(methoxymethoxy)cyclobutane-1-carbohydrazide
SMILESCOCOC1CC(C(=O)NN)(c2ccc(Cl)cc2)C1
InChIInChI=1S/C13H17ClN2O3/c1-18-8-19-11-6-13(7-11,12(17)16-15)9-2-4-10(14)5-3-9/h2-5,11H,6-8,15H2,1H3,(H,16,17)
InChIKeyGDWNNMKONNDXNG-UHFFFAOYSA-N
XLogP1.35
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.74
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(4-chlorophenyl)-3-(methoxymethoxy)cyclobutane-1-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(methoxymethoxy)cyclobutane-1-carbohydrazide?
The IUPAC name of 1-(4-chlorophenyl)-3-(methoxymethoxy)cyclobutane-1-carbohydrazide (CID 22722149) is 1-(4-chlorophenyl)-3-(methoxymethoxy)cyclobutane-1-carbohydrazide.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(methoxymethoxy)cyclobutane-1-carbohydrazide?
The canonical SMILES for 1-(4-chlorophenyl)-3-(methoxymethoxy)cyclobutane-1-carbohydrazide is COCOC1CC(C(=O)NN)(c2ccc(Cl)cc2)C1.
What is the InChIKey of 1-(4-chlorophenyl)-3-(methoxymethoxy)cyclobutane-1-carbohydrazide?
The InChIKey is GDWNNMKONNDXNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O3/c1-18-8-19-11-6-13(7-11,12(17)16-15)9-2-4-10(14)5-3-9/h2-5,11H,6-8,15H2,1H3,(H,16,17).
What are the key properties of 1-(4-chlorophenyl)-3-(methoxymethoxy)cyclobutane-1-carbohydrazide?
1-(4-chlorophenyl)-3-(methoxymethoxy)cyclobutane-1-carbohydrazide has a molecular weight of 284.74 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(methoxymethoxy)cyclobutane-1-carbohydrazide is sourced from PubChem (CID 22722149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).