2-butoxy-5-chlorobenzohydrazide

C11H15ClN2O2 — CID 54795706

IUPAC2-butoxy-5-chlorobenzohydrazide
SMILESCCCCOc1ccc(Cl)cc1C(=O)NN
InChIInChI=1S/C11H15ClN2O2/c1-2-3-6-16-10-5-4-8(12)7-9(10)11(15)14-13/h4-5,7H,2-3,6,13H2,1H3,(H,14,15)
InChIKeyZDEHTOKMSKBATQ-UHFFFAOYSA-N
MW242.71 g/mol
LogP2.12
Rot. Bonds5

About 2-butoxy-5-chlorobenzohydrazide

2-butoxy-5-chlorobenzohydrazide (PubChem CID 54795706) has the molecular formula C11H15ClN2O2 and a molecular weight of 242.71 g/mol. Its IUPAC name is 2-butoxy-5-chlorobenzohydrazide.

Molecular Properties

Compound Name2-butoxy-5-chlorobenzohydrazide
PubChem CID54795706
Molecular FormulaC11H15ClN2O2
Molecular Weight242.71 g/mol
Exact Mass242.08
IUPAC Name2-butoxy-5-chlorobenzohydrazide
SMILESCCCCOc1ccc(Cl)cc1C(=O)NN
InChIInChI=1S/C11H15ClN2O2/c1-2-3-6-16-10-5-4-8(12)7-9(10)11(15)14-13/h4-5,7H,2-3,6,13H2,1H3,(H,14,15)
InChIKeyZDEHTOKMSKBATQ-UHFFFAOYSA-N
XLogP2.12
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-2-(2-phenoxyethoxy)benzohydrazide
CID 54795635
2-butoxy-5-chloro-N-(2-phenylethyl)benzamide
CID 123526498
5-chloro-2-propoxybenzoyl chloride
CID 12863236
2-[(5-chloro-2-heptoxybenzoyl)amino]propanoic acid
CID 69205141
2,5-dipropoxybenzene-1,4-dicarbohydrazide;propane
CID 155712909
5-chloro-2-(2-cyclohexylethoxy)benzohydrazide
CID 54795643
methyl 2-butoxy-4-chlorobenzoate
CID 78846722
4-[(5-chloro-2-propoxybenzoyl)amino]butanoic acid
CID 119170646
N-(3-aminopropyl)-5-chloro-2-(2-methoxyethoxy)benzamide;hydrochloride
CID 119405795
2-pentoxybenzohydrazide
CID 54793215
N-(3-amino-2-methylpropyl)-5-chloro-2-propoxybenzamide;hydrochloride
CID 119996312
5-chloro-2-(4-methoxybutoxy)benzoic acid
CID 104646799

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-5-chlorobenzohydrazide?
The IUPAC name of 2-butoxy-5-chlorobenzohydrazide (CID 54795706) is 2-butoxy-5-chlorobenzohydrazide.
What is the SMILES notation for 2-butoxy-5-chlorobenzohydrazide?
The canonical SMILES for 2-butoxy-5-chlorobenzohydrazide is CCCCOc1ccc(Cl)cc1C(=O)NN.
What is the InChIKey of 2-butoxy-5-chlorobenzohydrazide?
The InChIKey is ZDEHTOKMSKBATQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2/c1-2-3-6-16-10-5-4-8(12)7-9(10)11(15)14-13/h4-5,7H,2-3,6,13H2,1H3,(H,14,15).
What are the key properties of 2-butoxy-5-chlorobenzohydrazide?
2-butoxy-5-chlorobenzohydrazide has a molecular weight of 242.71 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-5-chlorobenzohydrazide is sourced from PubChem (CID 54795706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).