N'-[2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]acetyl]benzohydrazide

C21H25ClN4O3 — CID 78833168

IUPACN'-[2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]acetyl]benzohydrazide
SMILESO=C(CN1CCN(CCOc2ccccc2Cl)CC1)NNC(=O)c1ccccc1
InChIInChI=1S/C21H25ClN4O3/c22-18-8-4-5-9-19(18)29-15-14-25-10-12-26(13-11-25)16-20(27)23-24-21(28)17-6-2-1-3-7-17/h1-9H,10-16H2,(H,23,27)(H,24,28)
InChIKeyGHCDZVJYMIYHHD-UHFFFAOYSA-N
MW416.91 g/mol
LogP1.80
Rot. Bonds7

About N'-[2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]acetyl]benzohydrazide

N'-[2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]acetyl]benzohydrazide (PubChem CID 78833168) has the molecular formula C21H25ClN4O3 and a molecular weight of 416.91 g/mol. Its IUPAC name is N'-[2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]acetyl]benzohydrazide.

Molecular Properties

Compound NameN'-[2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]acetyl]benzohydrazide
PubChem CID78833168
Molecular FormulaC21H25ClN4O3
Molecular Weight416.91 g/mol
Exact Mass416.16
IUPAC NameN'-[2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]acetyl]benzohydrazide
SMILESO=C(CN1CCN(CCOc2ccccc2Cl)CC1)NNC(=O)c1ccccc1
InChIInChI=1S/C21H25ClN4O3/c22-18-8-4-5-9-19(18)29-15-14-25-10-12-26(13-11-25)16-20(27)23-24-21(28)17-6-2-1-3-7-17/h1-9H,10-16H2,(H,23,27)(H,24,28)
InChIKeyGHCDZVJYMIYHHD-UHFFFAOYSA-N
XLogP1.80
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.91
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N'-[2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]acetyl]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-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-phenylmethanone
CID 78787888
2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-N-(cyclopropylmethyl)acetamide
CID 35462388
N'-[2-[4-(2-hydroxyethyl)piperazin-1-yl]acetyl]benzohydrazide
CID 78787526
2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-N-(2-propoxyphenyl)acetamide
CID 24585994
2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 35803451
2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-1-piperidin-1-ylethanone
CID 47014936
2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-N-[2-(4-chlorophenyl)ethyl]acetamide
CID 55489470
2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-N-(1-cyanocyclopentyl)acetamide
CID 35803587
3-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-N-(2,6-dichlorophenyl)propanamide
CID 24589425
2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-N-(3-methylcyclohexyl)acetamide
CID 78871439
2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide
CID 35803946
N'-(2-morpholin-4-ylacetyl)benzohydrazide
CID 8903734

Frequently Asked Questions

What is the IUPAC name of N'-[2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]acetyl]benzohydrazide?
The IUPAC name of N'-[2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]acetyl]benzohydrazide (CID 78833168) is N'-[2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]acetyl]benzohydrazide.
What is the SMILES notation for N'-[2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]acetyl]benzohydrazide?
The canonical SMILES for N'-[2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]acetyl]benzohydrazide is O=C(CN1CCN(CCOc2ccccc2Cl)CC1)NNC(=O)c1ccccc1.
What is the InChIKey of N'-[2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]acetyl]benzohydrazide?
The InChIKey is GHCDZVJYMIYHHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN4O3/c22-18-8-4-5-9-19(18)29-15-14-25-10-12-26(13-11-25)16-20(27)23-24-21(28)17-6-2-1-3-7-17/h1-9H,10-16H2,(H,23,27)(H,24,28).
What are the key properties of N'-[2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]acetyl]benzohydrazide?
N'-[2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]acetyl]benzohydrazide has a molecular weight of 416.91 g/mol, XLogP of 1.80, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]acetyl]benzohydrazide is sourced from PubChem (CID 78833168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).