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

C16H23Cl2N3O — CID 110444148

IUPAC3,4-dichloro-N-[3-(4-ethylpiperazin-1-yl)propyl]benzamide
SMILESCCN1CCN(CCCNC(=O)c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C16H23Cl2N3O/c1-2-20-8-10-21(11-9-20)7-3-6-19-16(22)13-4-5-14(17)15(18)12-13/h4-5,12H,2-3,6-11H2,1H3,(H,19,22)
InChIKeyGEQNQYZVZIBSEW-UHFFFAOYSA-N
MW344.29 g/mol
LogP2.75
Rot. Bonds6

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

3,4-dichloro-N-[3-(4-ethylpiperazin-1-yl)propyl]benzamide (PubChem CID 110444148) has the molecular formula C16H23Cl2N3O and a molecular weight of 344.29 g/mol. Its IUPAC name is 3,4-dichloro-N-[3-(4-ethylpiperazin-1-yl)propyl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[3-(4-ethylpiperazin-1-yl)propyl]benzamide
PubChem CID110444148
Molecular FormulaC16H23Cl2N3O
Molecular Weight344.29 g/mol
Exact Mass343.12
IUPAC Name3,4-dichloro-N-[3-(4-ethylpiperazin-1-yl)propyl]benzamide
SMILESCCN1CCN(CCCNC(=O)c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C16H23Cl2N3O/c1-2-20-8-10-21(11-9-20)7-3-6-19-16(22)13-4-5-14(17)15(18)12-13/h4-5,12H,2-3,6-11H2,1H3,(H,19,22)
InChIKeyGEQNQYZVZIBSEW-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

3,4-dichloro-N-[3-[4-[3-[(3,4-dichlorobenzoyl)amino]propyl]piperazin-1-yl]propyl]benzamide
CID 3672547
3,4-dichloro-N-(3-morpholin-4-ylpropyl)benzamide
CID 3328171
4-chloro-N-[3-(4-ethylpiperazin-1-yl)propyl]-3-piperidin-1-ylsulfonylbenzamide
CID 55660146
3,4-dichloro-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]benzamide
CID 42273536
3-chloro-N-[4-(4-ethylpiperazin-1-yl)butyl]benzamide
CID 110442007
2,5-dichloro-N-[3-(4-ethylpiperazin-1-yl)propyl]benzamide
CID 47029242
4-bromo-3-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide
CID 80965947
4-chloro-N-[3-[3-(4-ethylpiperazin-1-yl)propylamino]-3-oxopropyl]benzamide
CID 55662734
3,4-dichloro-N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]benzamide
CID 112504907
3-bromo-N-[3-(4-ethylpiperazin-1-yl)propyl]-4-methoxybenzamide
CID 47029235
3-chloro-4-ethoxy-N-[3-(4-ethylpiperazin-1-yl)propyl]-5-methoxybenzamide
CID 55662367
N-[4-(4-ethylpiperazin-1-yl)butyl]benzamide
CID 110442914

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[3-(4-ethylpiperazin-1-yl)propyl]benzamide?
The IUPAC name of 3,4-dichloro-N-[3-(4-ethylpiperazin-1-yl)propyl]benzamide (CID 110444148) is 3,4-dichloro-N-[3-(4-ethylpiperazin-1-yl)propyl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[3-(4-ethylpiperazin-1-yl)propyl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[3-(4-ethylpiperazin-1-yl)propyl]benzamide is CCN1CCN(CCCNC(=O)c2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of 3,4-dichloro-N-[3-(4-ethylpiperazin-1-yl)propyl]benzamide?
The InChIKey is GEQNQYZVZIBSEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23Cl2N3O/c1-2-20-8-10-21(11-9-20)7-3-6-19-16(22)13-4-5-14(17)15(18)12-13/h4-5,12H,2-3,6-11H2,1H3,(H,19,22).
What are the key properties of 3,4-dichloro-N-[3-(4-ethylpiperazin-1-yl)propyl]benzamide?
3,4-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 3,4-dichloro-N-[3-(4-ethylpiperazin-1-yl)propyl]benzamide is sourced from PubChem (CID 110444148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).