N'-(4-chlorophenyl)butanehydrazide

C10H13ClN2O — CID 5152318

IUPACN'-(4-chlorophenyl)butanehydrazide
SMILESCCCC(=O)NNc1ccc(Cl)cc1
InChIInChI=1S/C10H13ClN2O/c1-2-3-10(14)13-12-9-6-4-8(11)5-7-9/h4-7,12H,2-3H2,1H3,(H,13,14)
InChIKeyAOUUNTQHCIVKOX-UHFFFAOYSA-N
MW212.68 g/mol
LogP2.58
Rot. Bonds4

About N'-(4-chlorophenyl)butanehydrazide

N'-(4-chlorophenyl)butanehydrazide (PubChem CID 5152318) has the molecular formula C10H13ClN2O and a molecular weight of 212.68 g/mol. Its IUPAC name is N'-(4-chlorophenyl)butanehydrazide.

Molecular Properties

Compound NameN'-(4-chlorophenyl)butanehydrazide
PubChem CID5152318
Molecular FormulaC10H13ClN2O
Molecular Weight212.68 g/mol
Exact Mass212.07
IUPAC NameN'-(4-chlorophenyl)butanehydrazide
SMILESCCCC(=O)NNc1ccc(Cl)cc1
InChIInChI=1S/C10H13ClN2O/c1-2-3-10(14)13-12-9-6-4-8(11)5-7-9/h4-7,12H,2-3H2,1H3,(H,13,14)
InChIKeyAOUUNTQHCIVKOX-UHFFFAOYSA-N
XLogP2.58
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N'-(4-chlorophenyl)butanehydrazide 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 N'-(4-chlorophenyl)butanehydrazide?
The IUPAC name of N'-(4-chlorophenyl)butanehydrazide (CID 5152318) is N'-(4-chlorophenyl)butanehydrazide.
What is the SMILES notation for N'-(4-chlorophenyl)butanehydrazide?
The canonical SMILES for N'-(4-chlorophenyl)butanehydrazide is CCCC(=O)NNc1ccc(Cl)cc1.
What is the InChIKey of N'-(4-chlorophenyl)butanehydrazide?
The InChIKey is AOUUNTQHCIVKOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O/c1-2-3-10(14)13-12-9-6-4-8(11)5-7-9/h4-7,12H,2-3H2,1H3,(H,13,14).
What are the key properties of N'-(4-chlorophenyl)butanehydrazide?
N'-(4-chlorophenyl)butanehydrazide has a molecular weight of 212.68 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chlorophenyl)butanehydrazide is sourced from PubChem (CID 5152318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).