[2-(2-benzoylhydrazinyl)-2-oxoethyl]-[2-(4-chlorophenoxy)ethyl]-methylazanium

C18H21ClN3O3+ — CID 9252186

IUPAC[2-(2-benzoylhydrazinyl)-2-oxoethyl]-[2-(4-chlorophenoxy)ethyl]-methylazanium
SMILESC[NH+](CCOc1ccc(Cl)cc1)CC(=O)NNC(=O)c1ccccc1
InChIInChI=1S/C18H20ClN3O3/c1-22(11-12-25-16-9-7-15(19)8-10-16)13-17(23)20-21-18(24)14-5-3-2-4-6-14/h2-10H,11-13H2,1H3,(H,20,23)(H,21,24)/p+1
InChIKeyUFZSDOMJBBWVBX-UHFFFAOYSA-O
MW362.84 g/mol
LogP0.69
Rot. Bonds7

About [2-(2-benzoylhydrazinyl)-2-oxoethyl]-[2-(4-chlorophenoxy)ethyl]-methylazanium

[2-(2-benzoylhydrazinyl)-2-oxoethyl]-[2-(4-chlorophenoxy)ethyl]-methylazanium (PubChem CID 9252186) has the molecular formula C18H21ClN3O3+ and a molecular weight of 362.84 g/mol. Its IUPAC name is [2-(2-benzoylhydrazinyl)-2-oxoethyl]-[2-(4-chlorophenoxy)ethyl]-methylazanium.

Molecular Properties

Compound Name[2-(2-benzoylhydrazinyl)-2-oxoethyl]-[2-(4-chlorophenoxy)ethyl]-methylazanium
PubChem CID9252186
Molecular FormulaC18H21ClN3O3+
Molecular Weight362.84 g/mol
Exact Mass362.13
IUPAC Name[2-(2-benzoylhydrazinyl)-2-oxoethyl]-[2-(4-chlorophenoxy)ethyl]-methylazanium
SMILESC[NH+](CCOc1ccc(Cl)cc1)CC(=O)NNC(=O)c1ccccc1
InChIInChI=1S/C18H20ClN3O3/c1-22(11-12-25-16-9-7-15(19)8-10-16)13-17(23)20-21-18(24)14-5-3-2-4-6-14/h2-10H,11-13H2,1H3,(H,20,23)(H,21,24)/p+1
InChIKeyUFZSDOMJBBWVBX-UHFFFAOYSA-O
XLogP0.69
TPSA71.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.84
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [2-(2-benzoylhydrazinyl)-2-oxoethyl]-[2-(4-chlorophenoxy)ethyl]-methylazanium 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

2-(4-chlorophenoxy)ethyl-methyl-[2-(methylcarbamoylamino)-2-oxoethyl]azanium
CID 8676736
[2-(4-chloroanilino)-2-oxoethyl]-methyl-[2-(4-methylphenoxy)ethyl]azanium
CID 9166416
N'-(4-chlorobenzoyl)-4-(2-phenylethoxy)benzohydrazide
CID 4956611
methyl-[2-(methylcarbamoylamino)-2-oxoethyl]-(2-phenoxyethyl)azanium
CID 8555496
[2-(2,5-dichloroanilino)-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium
CID 8797663
2-(4-chlorophenoxy)ethyl-methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium
CID 9252465
N'-benzoyl-4-[(4-chlorophenoxy)methyl]benzohydrazide
CID 4880251
(2-anilino-2-oxoethyl)-methyl-(2-phenoxyethyl)azanium
CID 8797715
[2-(4-chloro-2-methylanilino)-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium
CID 8797925
4-butoxy-N-[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl]benzamide
CID 7971592
[2-(5-chloro-2-cyanoanilino)-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium
CID 8797642
N-[2-[2-(4-chlorophenoxy)ethylamino]-2-oxoethyl]benzamide
CID 27861644

Frequently Asked Questions

What is the IUPAC name of [2-(2-benzoylhydrazinyl)-2-oxoethyl]-[2-(4-chlorophenoxy)ethyl]-methylazanium?
The IUPAC name of [2-(2-benzoylhydrazinyl)-2-oxoethyl]-[2-(4-chlorophenoxy)ethyl]-methylazanium (CID 9252186) is [2-(2-benzoylhydrazinyl)-2-oxoethyl]-[2-(4-chlorophenoxy)ethyl]-methylazanium.
What is the SMILES notation for [2-(2-benzoylhydrazinyl)-2-oxoethyl]-[2-(4-chlorophenoxy)ethyl]-methylazanium?
The canonical SMILES for [2-(2-benzoylhydrazinyl)-2-oxoethyl]-[2-(4-chlorophenoxy)ethyl]-methylazanium is C[NH+](CCOc1ccc(Cl)cc1)CC(=O)NNC(=O)c1ccccc1.
What is the InChIKey of [2-(2-benzoylhydrazinyl)-2-oxoethyl]-[2-(4-chlorophenoxy)ethyl]-methylazanium?
The InChIKey is UFZSDOMJBBWVBX-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H20ClN3O3/c1-22(11-12-25-16-9-7-15(19)8-10-16)13-17(23)20-21-18(24)14-5-3-2-4-6-14/h2-10H,11-13H2,1H3,(H,20,23)(H,21,24)/p+1.
What are the key properties of [2-(2-benzoylhydrazinyl)-2-oxoethyl]-[2-(4-chlorophenoxy)ethyl]-methylazanium?
[2-(2-benzoylhydrazinyl)-2-oxoethyl]-[2-(4-chlorophenoxy)ethyl]-methylazanium has a molecular weight of 362.84 g/mol, XLogP of 0.69, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-benzoylhydrazinyl)-2-oxoethyl]-[2-(4-chlorophenoxy)ethyl]-methylazanium is sourced from PubChem (CID 9252186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).