N'-butyl-4-chlorobenzohydrazide

C11H15ClN2O — CID 54316037

IUPACN'-butyl-4-chlorobenzohydrazide
SMILESCCCCNNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H15ClN2O/c1-2-3-8-13-14-11(15)9-4-6-10(12)7-5-9/h4-7,13H,2-3,8H2,1H3,(H,14,15)
InChIKeySOFXANVWFFBJSR-UHFFFAOYSA-N
MW226.71 g/mol
LogP2.37
Rot. Bonds5

About N'-butyl-4-chlorobenzohydrazide

N'-butyl-4-chlorobenzohydrazide (PubChem CID 54316037) has the molecular formula C11H15ClN2O and a molecular weight of 226.71 g/mol. Its IUPAC name is N'-butyl-4-chlorobenzohydrazide.

Molecular Properties

Compound NameN'-butyl-4-chlorobenzohydrazide
PubChem CID54316037
Molecular FormulaC11H15ClN2O
Molecular Weight226.71 g/mol
Exact Mass226.09
IUPAC NameN'-butyl-4-chlorobenzohydrazide
SMILESCCCCNNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H15ClN2O/c1-2-3-8-13-14-11(15)9-4-6-10(12)7-5-9/h4-7,13H,2-3,8H2,1H3,(H,14,15)
InChIKeySOFXANVWFFBJSR-UHFFFAOYSA-N
XLogP2.37
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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 N'-butyl-4-chlorobenzohydrazide?
The IUPAC name of N'-butyl-4-chlorobenzohydrazide (CID 54316037) is N'-butyl-4-chlorobenzohydrazide.
What is the SMILES notation for N'-butyl-4-chlorobenzohydrazide?
The canonical SMILES for N'-butyl-4-chlorobenzohydrazide is CCCCNNC(=O)c1ccc(Cl)cc1.
What is the InChIKey of N'-butyl-4-chlorobenzohydrazide?
The InChIKey is SOFXANVWFFBJSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O/c1-2-3-8-13-14-11(15)9-4-6-10(12)7-5-9/h4-7,13H,2-3,8H2,1H3,(H,14,15).
What are the key properties of N'-butyl-4-chlorobenzohydrazide?
N'-butyl-4-chlorobenzohydrazide has a molecular weight of 226.71 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butyl-4-chlorobenzohydrazide is sourced from PubChem (CID 54316037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).