3,5-dichloro-4-methoxy-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]benzohydrazide

C21H24Cl2N4O3 — CID 29354060

IUPAC3,5-dichloro-4-methoxy-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]benzohydrazide
SMILESCOc1c(Cl)cc(C(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)cc1Cl
InChIInChI=1S/C21H24Cl2N4O3/c1-30-20-17(22)13-15(14-18(20)23)21(29)25-24-19(28)7-8-26-9-11-27(12-10-26)16-5-3-2-4-6-16/h2-6,13-14H,7-12H2,1H3,(H,24,28)(H,25,29)
InChIKeyKIQYUHWDEBWVGN-UHFFFAOYSA-N
MW451.35 g/mol
LogP2.98
Rot. Bonds6

About 3,5-dichloro-4-methoxy-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]benzohydrazide

3,5-dichloro-4-methoxy-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]benzohydrazide (PubChem CID 29354060) has the molecular formula C21H24Cl2N4O3 and a molecular weight of 451.35 g/mol. Its IUPAC name is 3,5-dichloro-4-methoxy-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]benzohydrazide.

Molecular Properties

Compound Name3,5-dichloro-4-methoxy-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]benzohydrazide
PubChem CID29354060
Molecular FormulaC21H24Cl2N4O3
Molecular Weight451.35 g/mol
Exact Mass450.12
IUPAC Name3,5-dichloro-4-methoxy-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]benzohydrazide
SMILESCOc1c(Cl)cc(C(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)cc1Cl
InChIInChI=1S/C21H24Cl2N4O3/c1-30-20-17(22)13-15(14-18(20)23)21(29)25-24-19(28)7-8-26-9-11-27(12-10-26)16-5-3-2-4-6-16/h2-6,13-14H,7-12H2,1H3,(H,24,28)(H,25,29)
InChIKeyKIQYUHWDEBWVGN-UHFFFAOYSA-N
XLogP2.98
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.35
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3,5-dichloro-4-methoxy-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]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

2-chloro-4,5-difluoro-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]benzohydrazide
CID 26523820
2-chloro-6-fluoro-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]benzohydrazide
CID 7551003
N'-benzoyl-3,5-dichloro-4-methoxybenzohydrazide
CID 51218002
N'-[2-(2,4-dichlorophenoxy)acetyl]-3-(4-phenylpiperazin-1-yl)propanehydrazide
CID 26523702
N'-[2-(2,6-dimethylphenoxy)acetyl]-3-(4-phenylpiperazin-1-yl)propanehydrazide
CID 7550980
5-methyl-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]thiophene-2-carbohydrazide
CID 26523718
N'-[3-(4-phenylpiperazin-1-yl)propanoyl]furan-2-carbohydrazide
CID 2677075
3-methyl-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]thiophene-2-carbohydrazide
CID 24979593
N'-[2-(4-acetylphenoxy)acetyl]-3-(4-phenylpiperazin-1-yl)propanehydrazide
CID 7891748
3,4-dimethyl-N-[2-oxo-2-[2-[3-(4-phenylpiperazin-1-yl)propanoyl]hydrazinyl]ethyl]benzamide
CID 18281862
1-(3-methoxyphenyl)-3-[3-(4-phenylpiperazin-1-yl)propanoylamino]thiourea
CID 8614615
N'-[3-(4-chlorophenyl)sulfanylpropanoyl]-3-(4-phenylpiperazin-1-yl)propanehydrazide
CID 4541503

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-methoxy-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]benzohydrazide?
The IUPAC name of 3,5-dichloro-4-methoxy-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]benzohydrazide (CID 29354060) is 3,5-dichloro-4-methoxy-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]benzohydrazide.
What is the SMILES notation for 3,5-dichloro-4-methoxy-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]benzohydrazide?
The canonical SMILES for 3,5-dichloro-4-methoxy-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]benzohydrazide is COc1c(Cl)cc(C(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)cc1Cl.
What is the InChIKey of 3,5-dichloro-4-methoxy-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]benzohydrazide?
The InChIKey is KIQYUHWDEBWVGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24Cl2N4O3/c1-30-20-17(22)13-15(14-18(20)23)21(29)25-24-19(28)7-8-26-9-11-27(12-10-26)16-5-3-2-4-6-16/h2-6,13-14H,7-12H2,1H3,(H,24,28)(H,25,29).
What are the key properties of 3,5-dichloro-4-methoxy-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]benzohydrazide?
3,5-dichloro-4-methoxy-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]benzohydrazide has a molecular weight of 451.35 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-methoxy-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]benzohydrazide is sourced from PubChem (CID 29354060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).