N'-[2-(2,4-dichlorophenoxy)acetyl]-3-(4-phenylpiperazin-1-yl)propanehydrazide

C21H24Cl2N4O3 — CID 26523702

IUPACN'-[2-(2,4-dichlorophenoxy)acetyl]-3-(4-phenylpiperazin-1-yl)propanehydrazide
SMILESO=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C21H24Cl2N4O3/c22-16-6-7-19(18(23)14-16)30-15-21(29)25-24-20(28)8-9-26-10-12-27(13-11-26)17-4-2-1-3-5-17/h1-7,14H,8-13,15H2,(H,24,28)(H,25,29)
InChIKeyCXCJKOFLQIGROB-UHFFFAOYSA-N
MW451.35 g/mol
LogP2.73
Rot. Bonds7

About N'-[2-(2,4-dichlorophenoxy)acetyl]-3-(4-phenylpiperazin-1-yl)propanehydrazide

N'-[2-(2,4-dichlorophenoxy)acetyl]-3-(4-phenylpiperazin-1-yl)propanehydrazide (PubChem CID 26523702) has the molecular formula C21H24Cl2N4O3 and a molecular weight of 451.35 g/mol. Its IUPAC name is N'-[2-(2,4-dichlorophenoxy)acetyl]-3-(4-phenylpiperazin-1-yl)propanehydrazide.

Molecular Properties

Compound NameN'-[2-(2,4-dichlorophenoxy)acetyl]-3-(4-phenylpiperazin-1-yl)propanehydrazide
PubChem CID26523702
Molecular FormulaC21H24Cl2N4O3
Molecular Weight451.35 g/mol
Exact Mass450.12
IUPAC NameN'-[2-(2,4-dichlorophenoxy)acetyl]-3-(4-phenylpiperazin-1-yl)propanehydrazide
SMILESO=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C21H24Cl2N4O3/c22-16-6-7-19(18(23)14-16)30-15-21(29)25-24-20(28)8-9-26-10-12-27(13-11-26)17-4-2-1-3-5-17/h1-7,14H,8-13,15H2,(H,24,28)(H,25,29)
InChIKeyCXCJKOFLQIGROB-UHFFFAOYSA-N
XLogP2.73
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.35
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2,4-dichlorophenyl)-3-(4-phenylpiperazin-1-yl)propanamide
CID 109027205
N'-[2-(2,6-dimethylphenoxy)acetyl]-3-(4-phenylpiperazin-1-yl)propanehydrazide
CID 7550980
N'-[3-(4-chlorophenyl)sulfanylpropanoyl]-3-(4-phenylpiperazin-1-yl)propanehydrazide
CID 4541503
2-(2,4-dichlorophenoxy)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]acetamide
CID 42266468
2-chloro-4,5-difluoro-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]benzohydrazide
CID 26523820
1-N',5-N'-bis[2-(2,4-dichlorophenoxy)acetyl]pentanedihydrazide
CID 3363801
N'-[2-(2,4-dichlorophenoxy)acetyl]-3-phenoxypropanehydrazide
CID 19168021
N'-[2-(4-acetylphenoxy)acetyl]-3-(4-phenylpiperazin-1-yl)propanehydrazide
CID 7891748
1-N',9-N'-bis[2-(2,4-dichlorophenoxy)acetyl]nonanedihydrazide
CID 4513160
3,5-dichloro-4-methoxy-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]benzohydrazide
CID 29354060
2-chloro-6-fluoro-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]benzohydrazide
CID 7551003
N-(4-chloro-2-methylphenyl)-3-(4-phenylpiperazin-1-yl)propanamide
CID 109027177

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,4-dichlorophenoxy)acetyl]-3-(4-phenylpiperazin-1-yl)propanehydrazide?
The IUPAC name of N'-[2-(2,4-dichlorophenoxy)acetyl]-3-(4-phenylpiperazin-1-yl)propanehydrazide (CID 26523702) is N'-[2-(2,4-dichlorophenoxy)acetyl]-3-(4-phenylpiperazin-1-yl)propanehydrazide.
What is the SMILES notation for N'-[2-(2,4-dichlorophenoxy)acetyl]-3-(4-phenylpiperazin-1-yl)propanehydrazide?
The canonical SMILES for N'-[2-(2,4-dichlorophenoxy)acetyl]-3-(4-phenylpiperazin-1-yl)propanehydrazide is O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)COc1ccc(Cl)cc1Cl.
What is the InChIKey of N'-[2-(2,4-dichlorophenoxy)acetyl]-3-(4-phenylpiperazin-1-yl)propanehydrazide?
The InChIKey is CXCJKOFLQIGROB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24Cl2N4O3/c22-16-6-7-19(18(23)14-16)30-15-21(29)25-24-20(28)8-9-26-10-12-27(13-11-26)17-4-2-1-3-5-17/h1-7,14H,8-13,15H2,(H,24,28)(H,25,29).
What are the key properties of N'-[2-(2,4-dichlorophenoxy)acetyl]-3-(4-phenylpiperazin-1-yl)propanehydrazide?
N'-[2-(2,4-dichlorophenoxy)acetyl]-3-(4-phenylpiperazin-1-yl)propanehydrazide has a molecular weight of 451.35 g/mol, XLogP of 2.73, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,4-dichlorophenoxy)acetyl]-3-(4-phenylpiperazin-1-yl)propanehydrazide is sourced from PubChem (CID 26523702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).