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

C17H25Cl2N3O — CID 112504907

IUPAC3,4-dichloro-N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]benzamide
SMILESCCN1CCN(C(C)(C)CNC(=O)c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C17H25Cl2N3O/c1-4-21-7-9-22(10-8-21)17(2,3)12-20-16(23)13-5-6-14(18)15(19)11-13/h5-6,11H,4,7-10,12H2,1-3H3,(H,20,23)
InChIKeyYZZYSASHAJISSG-UHFFFAOYSA-N
MW358.31 g/mol
LogP3.14
Rot. Bonds5

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

3,4-dichloro-N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]benzamide (PubChem CID 112504907) has the molecular formula C17H25Cl2N3O and a molecular weight of 358.31 g/mol. Its IUPAC name is 3,4-dichloro-N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]benzamide
PubChem CID112504907
Molecular FormulaC17H25Cl2N3O
Molecular Weight358.31 g/mol
Exact Mass357.14
IUPAC Name3,4-dichloro-N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]benzamide
SMILESCCN1CCN(C(C)(C)CNC(=O)c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C17H25Cl2N3O/c1-4-21-7-9-22(10-8-21)17(2,3)12-20-16(23)13-5-6-14(18)15(19)11-13/h5-6,11H,4,7-10,12H2,1-3H3,(H,20,23)
InChIKeyYZZYSASHAJISSG-UHFFFAOYSA-N
XLogP3.14
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.31
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dichloro-N-[3-(4-ethylpiperazin-1-yl)propyl]benzamide
CID 110444148
N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-methylsulfonylbenzamide
CID 110312959
N-(2-amino-2-methylpropyl)-3,4-dichlorobenzamide
CID 81483692
3,4-dichloro-N-(2-hydroxy-2-methylpentyl)benzamide
CID 113240344
3,4-dichloro-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzamide
CID 90500989
2-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-1-(4-ethylpiperazin-1-yl)ethanone;ethane
CID 143404012
N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-1-methyl-5-(4-methylphenyl)pyrazole-3-carboxamide
CID 110303367
3,4-dichloro-N-[3-[4-[3-[(3,4-dichlorobenzoyl)amino]propyl]piperazin-1-yl]propyl]benzamide
CID 3672547
2-(4-chlorophenoxy)-N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]acetamide
CID 112504917
3-(3-chlorophenyl)-N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]propanamide
CID 110414094
3,4-dichloro-N-(2-hydroxy-2-phenylpropyl)benzamide
CID 121111944
3,4-dichloro-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]benzamide
CID 111458799

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]benzamide?
The IUPAC name of 3,4-dichloro-N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]benzamide (CID 112504907) is 3,4-dichloro-N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]benzamide is CCN1CCN(C(C)(C)CNC(=O)c2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of 3,4-dichloro-N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]benzamide?
The InChIKey is YZZYSASHAJISSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25Cl2N3O/c1-4-21-7-9-22(10-8-21)17(2,3)12-20-16(23)13-5-6-14(18)15(19)11-13/h5-6,11H,4,7-10,12H2,1-3H3,(H,20,23).
What are the key properties of 3,4-dichloro-N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]benzamide?
3,4-dichloro-N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]benzamide has a molecular weight of 358.31 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]benzamide is sourced from PubChem (CID 112504907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).