2-chloro-4-methyl-N-(2-piperazin-1-ylethyl)benzamide

C14H20ClN3O — CID 106862040

IUPAC2-chloro-4-methyl-N-(2-piperazin-1-ylethyl)benzamide
SMILESCc1ccc(C(=O)NCCN2CCNCC2)c(Cl)c1
InChIInChI=1S/C14H20ClN3O/c1-11-2-3-12(13(15)10-11)14(19)17-6-9-18-7-4-16-5-8-18/h2-3,10,16H,4-9H2,1H3,(H,17,19)
InChIKeyZHSCKNSMMRSEEP-UHFFFAOYSA-N
MW281.79 g/mol
LogP1.28
Rot. Bonds4

About 2-chloro-4-methyl-N-(2-piperazin-1-ylethyl)benzamide

2-chloro-4-methyl-N-(2-piperazin-1-ylethyl)benzamide (PubChem CID 106862040) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is 2-chloro-4-methyl-N-(2-piperazin-1-ylethyl)benzamide.

Molecular Properties

Compound Name2-chloro-4-methyl-N-(2-piperazin-1-ylethyl)benzamide
PubChem CID106862040
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC Name2-chloro-4-methyl-N-(2-piperazin-1-ylethyl)benzamide
SMILESCc1ccc(C(=O)NCCN2CCNCC2)c(Cl)c1
InChIInChI=1S/C14H20ClN3O/c1-11-2-3-12(13(15)10-11)14(19)17-6-9-18-7-4-16-5-8-18/h2-3,10,16H,4-9H2,1H3,(H,17,19)
InChIKeyZHSCKNSMMRSEEP-UHFFFAOYSA-N
XLogP1.28
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-fluoro-N-(2-piperazin-1-ylethyl)benzamide
CID 43600269
4-bromo-2-chloro-N-(3-piperazin-1-ylpropyl)benzamide
CID 43805782
4-bromo-2-chloro-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 119394241
4-chloro-2-fluoro-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119445404
2-(2,5-dimethylphenyl)-N-(2-piperazin-1-ylethyl)acetamide
CID 62537843
2,6-dichloro-N-(2-piperazin-1-ylethyl)benzamide
CID 43422024
2-methyl-N-(2-piperazin-1-ylethyl)-5-sulfanylbenzamide
CID 107024052
2-(4-methylphenyl)-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride
CID 119260061
2,4-dichloro-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]benzamide
CID 30885246
2,5-dimethyl-1-(3-methylphenyl)-N-(2-piperazin-1-ylethyl)pyrrole-3-carboxamide
CID 119447744
2-(2-chloro-5-methylphenoxy)-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride
CID 119448453
2,5-dichloro-N-(3-piperazin-1-ylpropyl)benzamide
CID 43443285

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methyl-N-(2-piperazin-1-ylethyl)benzamide?
The IUPAC name of 2-chloro-4-methyl-N-(2-piperazin-1-ylethyl)benzamide (CID 106862040) is 2-chloro-4-methyl-N-(2-piperazin-1-ylethyl)benzamide.
What is the SMILES notation for 2-chloro-4-methyl-N-(2-piperazin-1-ylethyl)benzamide?
The canonical SMILES for 2-chloro-4-methyl-N-(2-piperazin-1-ylethyl)benzamide is Cc1ccc(C(=O)NCCN2CCNCC2)c(Cl)c1.
What is the InChIKey of 2-chloro-4-methyl-N-(2-piperazin-1-ylethyl)benzamide?
The InChIKey is ZHSCKNSMMRSEEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O/c1-11-2-3-12(13(15)10-11)14(19)17-6-9-18-7-4-16-5-8-18/h2-3,10,16H,4-9H2,1H3,(H,17,19).
What are the key properties of 2-chloro-4-methyl-N-(2-piperazin-1-ylethyl)benzamide?
2-chloro-4-methyl-N-(2-piperazin-1-ylethyl)benzamide has a molecular weight of 281.79 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methyl-N-(2-piperazin-1-ylethyl)benzamide is sourced from PubChem (CID 106862040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).