2,5-dichloro-N-[3-(4-ethylpiperazin-1-yl)propyl]benzamide

C16H23Cl2N3O — CID 47029242

IUPAC2,5-dichloro-N-[3-(4-ethylpiperazin-1-yl)propyl]benzamide
SMILESCCN1CCN(CCCNC(=O)c2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C16H23Cl2N3O/c1-2-20-8-10-21(11-9-20)7-3-6-19-16(22)14-12-13(17)4-5-15(14)18/h4-5,12H,2-3,6-11H2,1H3,(H,19,22)
InChIKeyYNSZCMZGGBGSFY-UHFFFAOYSA-N
MW344.29 g/mol
LogP2.75
Rot. Bonds6

About 2,5-dichloro-N-[3-(4-ethylpiperazin-1-yl)propyl]benzamide

2,5-dichloro-N-[3-(4-ethylpiperazin-1-yl)propyl]benzamide (PubChem CID 47029242) has the molecular formula C16H23Cl2N3O and a molecular weight of 344.29 g/mol. Its IUPAC name is 2,5-dichloro-N-[3-(4-ethylpiperazin-1-yl)propyl]benzamide.

Molecular Properties

Compound Name2,5-dichloro-N-[3-(4-ethylpiperazin-1-yl)propyl]benzamide
PubChem CID47029242
Molecular FormulaC16H23Cl2N3O
Molecular Weight344.29 g/mol
Exact Mass343.12
IUPAC Name2,5-dichloro-N-[3-(4-ethylpiperazin-1-yl)propyl]benzamide
SMILESCCN1CCN(CCCNC(=O)c2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C16H23Cl2N3O/c1-2-20-8-10-21(11-9-20)7-3-6-19-16(22)14-12-13(17)4-5-15(14)18/h4-5,12H,2-3,6-11H2,1H3,(H,19,22)
InChIKeyYNSZCMZGGBGSFY-UHFFFAOYSA-N
XLogP2.75
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.29
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,5-dichloro-N-(3-piperazin-1-ylpropyl)benzamide
CID 43443285
2,5-dichloro-N-(5-piperidin-1-ylpentyl)benzamide
CID 110440779
2,5-dichloro-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 42224466
3,4-dichloro-N-[3-(4-ethylpiperazin-1-yl)propyl]benzamide
CID 110444148
3-chloro-N-[4-(4-ethylpiperazin-1-yl)butyl]benzamide
CID 110442007
2,5-dichloro-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzamide
CID 42273217
2-(2,5-dichlorophenoxy)-N-[3-(4-ethylpiperazin-1-yl)propyl]acetamide
CID 55660167
5-amino-N-[3-(4-ethylpiperazin-1-yl)propyl]-2-methylbenzamide;trihydrochloride
CID 120647882
4-chloro-N-[3-[3-(4-ethylpiperazin-1-yl)propylamino]-3-oxopropyl]benzamide
CID 55662734
5-chloro-2-methoxy-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 94885064
2-[(4-chlorophenyl)methoxy]-N-[3-(4-ethylpiperazin-1-yl)propyl]benzamide
CID 55660052
N-[5-(4-ethylpiperazin-1-yl)pentyl]-2-fluorobenzamide
CID 110444095

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[3-(4-ethylpiperazin-1-yl)propyl]benzamide?
The IUPAC name of 2,5-dichloro-N-[3-(4-ethylpiperazin-1-yl)propyl]benzamide (CID 47029242) is 2,5-dichloro-N-[3-(4-ethylpiperazin-1-yl)propyl]benzamide.
What is the SMILES notation for 2,5-dichloro-N-[3-(4-ethylpiperazin-1-yl)propyl]benzamide?
The canonical SMILES for 2,5-dichloro-N-[3-(4-ethylpiperazin-1-yl)propyl]benzamide is CCN1CCN(CCCNC(=O)c2cc(Cl)ccc2Cl)CC1.
What is the InChIKey of 2,5-dichloro-N-[3-(4-ethylpiperazin-1-yl)propyl]benzamide?
The InChIKey is YNSZCMZGGBGSFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23Cl2N3O/c1-2-20-8-10-21(11-9-20)7-3-6-19-16(22)14-12-13(17)4-5-15(14)18/h4-5,12H,2-3,6-11H2,1H3,(H,19,22).
What are the key properties of 2,5-dichloro-N-[3-(4-ethylpiperazin-1-yl)propyl]benzamide?
2,5-dichloro-N-[3-(4-ethylpiperazin-1-yl)propyl]benzamide has a molecular weight of 344.29 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[3-(4-ethylpiperazin-1-yl)propyl]benzamide is sourced from PubChem (CID 47029242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).