2,6-dichloro-N-(2-piperazin-1-ylethyl)benzamide

C13H17Cl2N3O — CID 43422024

IUPAC2,6-dichloro-N-(2-piperazin-1-ylethyl)benzamide
SMILESO=C(NCCN1CCNCC1)c1c(Cl)cccc1Cl
InChIInChI=1S/C13H17Cl2N3O/c14-10-2-1-3-11(15)12(10)13(19)17-6-9-18-7-4-16-5-8-18/h1-3,16H,4-9H2,(H,17,19)
InChIKeyVRPNFXDYTNXXON-UHFFFAOYSA-N
MW302.20 g/mol
LogP1.63
Rot. Bonds4

About 2,6-dichloro-N-(2-piperazin-1-ylethyl)benzamide

2,6-dichloro-N-(2-piperazin-1-ylethyl)benzamide (PubChem CID 43422024) has the molecular formula C13H17Cl2N3O and a molecular weight of 302.20 g/mol. Its IUPAC name is 2,6-dichloro-N-(2-piperazin-1-ylethyl)benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-(2-piperazin-1-ylethyl)benzamide
PubChem CID43422024
Molecular FormulaC13H17Cl2N3O
Molecular Weight302.20 g/mol
Exact Mass301.07
IUPAC Name2,6-dichloro-N-(2-piperazin-1-ylethyl)benzamide
SMILESO=C(NCCN1CCNCC1)c1c(Cl)cccc1Cl
InChIInChI=1S/C13H17Cl2N3O/c14-10-2-1-3-11(15)12(10)13(19)17-6-9-18-7-4-16-5-8-18/h1-3,16H,4-9H2,(H,17,19)
InChIKeyVRPNFXDYTNXXON-UHFFFAOYSA-N
XLogP1.63
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.20
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-6-(2-chlorophenoxy)-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119448747
2,3-dichloro-N-(3-piperazin-1-ylpropyl)benzamide
CID 43443287
2-amino-6-chloro-N-(2-piperidin-1-ylethyl)benzamide
CID 63659172
2-(2-chlorophenyl)-2-methyl-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride
CID 119446515
6-(2-piperazin-1-ylethylcarbamoyl)pyridine-2-carboxylic acid
CID 61408387
3-hydroxy-N-(2-piperazin-1-ylethyl)benzamide
CID 43600333
2-chloro-4-fluoro-N-(2-piperazin-1-ylethyl)benzamide
CID 43600269
2-chloro-4-methyl-N-(2-piperazin-1-ylethyl)benzamide
CID 106862040
2-(3-chlorophenyl)-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride
CID 119448868
3-bromo-4-chloro-N-(2-piperazin-1-ylethyl)benzamide
CID 107990091
3-(2,6-dichlorophenyl)-5-methyl-N-(3-piperazin-1-ylpropyl)-1,2-oxazole-4-carboxamide
CID 119391714
4-chloro-3-iodo-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119449000

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-(2-piperazin-1-ylethyl)benzamide?
The IUPAC name of 2,6-dichloro-N-(2-piperazin-1-ylethyl)benzamide (CID 43422024) is 2,6-dichloro-N-(2-piperazin-1-ylethyl)benzamide.
What is the SMILES notation for 2,6-dichloro-N-(2-piperazin-1-ylethyl)benzamide?
The canonical SMILES for 2,6-dichloro-N-(2-piperazin-1-ylethyl)benzamide is O=C(NCCN1CCNCC1)c1c(Cl)cccc1Cl.
What is the InChIKey of 2,6-dichloro-N-(2-piperazin-1-ylethyl)benzamide?
The InChIKey is VRPNFXDYTNXXON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2N3O/c14-10-2-1-3-11(15)12(10)13(19)17-6-9-18-7-4-16-5-8-18/h1-3,16H,4-9H2,(H,17,19).
What are the key properties of 2,6-dichloro-N-(2-piperazin-1-ylethyl)benzamide?
2,6-dichloro-N-(2-piperazin-1-ylethyl)benzamide has a molecular weight of 302.20 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-(2-piperazin-1-ylethyl)benzamide is sourced from PubChem (CID 43422024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).