N'-butanoyl-4-[(4-chlorophenoxy)methyl]benzohydrazide

C18H19ClN2O3 — CID 24536714

IUPACN'-butanoyl-4-[(4-chlorophenoxy)methyl]benzohydrazide
SMILESCCCC(=O)NNC(=O)c1ccc(COc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H19ClN2O3/c1-2-3-17(22)20-21-18(23)14-6-4-13(5-7-14)12-24-16-10-8-15(19)9-11-16/h4-11H,2-3,12H2,1H3,(H,20,22)(H,21,23)
InChIKeyHTXPIBMYLFZFRG-UHFFFAOYSA-N
MW346.81 g/mol
LogP3.48
Rot. Bonds6

About N'-butanoyl-4-[(4-chlorophenoxy)methyl]benzohydrazide

N'-butanoyl-4-[(4-chlorophenoxy)methyl]benzohydrazide (PubChem CID 24536714) has the molecular formula C18H19ClN2O3 and a molecular weight of 346.81 g/mol. Its IUPAC name is N'-butanoyl-4-[(4-chlorophenoxy)methyl]benzohydrazide.

Molecular Properties

Compound NameN'-butanoyl-4-[(4-chlorophenoxy)methyl]benzohydrazide
PubChem CID24536714
Molecular FormulaC18H19ClN2O3
Molecular Weight346.81 g/mol
Exact Mass346.11
IUPAC NameN'-butanoyl-4-[(4-chlorophenoxy)methyl]benzohydrazide
SMILESCCCC(=O)NNC(=O)c1ccc(COc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H19ClN2O3/c1-2-3-17(22)20-21-18(23)14-6-4-13(5-7-14)12-24-16-10-8-15(19)9-11-16/h4-11H,2-3,12H2,1H3,(H,20,22)(H,21,23)
InChIKeyHTXPIBMYLFZFRG-UHFFFAOYSA-N
XLogP3.48
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-butanoyl-4-[(4-chlorophenoxy)methyl]benzohydrazide with MolForge

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

Launch Full Analysis

Related Compounds

4-[(4-chlorophenoxy)methyl]-N'-(3-ethylsulfanylpropanoyl)benzohydrazide
CID 55786769
4-[(4-chlorophenoxy)methyl]-N'-[2-(4-methoxyphenoxy)acetyl]benzohydrazide
CID 27259570
N'-benzoyl-4-[(4-chlorophenoxy)methyl]benzohydrazide
CID 4880251
N'-butanoyl-4-butoxybenzohydrazide
CID 17340318
4-chloro-N'-[4-(4-ethoxyphenoxy)butanoyl]benzohydrazide
CID 8014621
2-chloro-N'-[4-[(4-chlorophenoxy)methyl]benzoyl]benzohydrazide
CID 24637056
N-[3-acetamido-5-[[[4-[(4-chlorophenoxy)methyl]benzoyl]amino]carbamoyl]phenyl]acetamide
CID 24514086
N'-butanoyl-4-(2-phenoxyethoxy)benzohydrazide
CID 17340326
4-[(4-chlorophenoxy)methyl]-N'-[2-(4-nitrophenoxy)acetyl]benzohydrazide
CID 26850877
4-[(4-chlorophenoxy)methyl]-N'-(2,2-dichloro-1-methylcyclopropanecarbonyl)benzohydrazide
CID 46651058
N-[2-[2-[4-[(4-chlorophenoxy)methyl]benzoyl]hydrazinyl]-2-oxoethyl]-2-phenoxyacetamide
CID 22108267
4-[(4-chlorophenoxy)methyl]-N'-[4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butanoyl]benzohydrazide
CID 24514091

Frequently Asked Questions

What is the IUPAC name of N'-butanoyl-4-[(4-chlorophenoxy)methyl]benzohydrazide?
The IUPAC name of N'-butanoyl-4-[(4-chlorophenoxy)methyl]benzohydrazide (CID 24536714) is N'-butanoyl-4-[(4-chlorophenoxy)methyl]benzohydrazide.
What is the SMILES notation for N'-butanoyl-4-[(4-chlorophenoxy)methyl]benzohydrazide?
The canonical SMILES for N'-butanoyl-4-[(4-chlorophenoxy)methyl]benzohydrazide is CCCC(=O)NNC(=O)c1ccc(COc2ccc(Cl)cc2)cc1.
What is the InChIKey of N'-butanoyl-4-[(4-chlorophenoxy)methyl]benzohydrazide?
The InChIKey is HTXPIBMYLFZFRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3/c1-2-3-17(22)20-21-18(23)14-6-4-13(5-7-14)12-24-16-10-8-15(19)9-11-16/h4-11H,2-3,12H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N'-butanoyl-4-[(4-chlorophenoxy)methyl]benzohydrazide?
N'-butanoyl-4-[(4-chlorophenoxy)methyl]benzohydrazide has a molecular weight of 346.81 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butanoyl-4-[(4-chlorophenoxy)methyl]benzohydrazide is sourced from PubChem (CID 24536714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).