2,3-dichloro-N-methyl-N-(2-piperazin-1-ylethyl)benzamide

C14H19Cl2N3O — CID 63265748

IUPAC2,3-dichloro-N-methyl-N-(2-piperazin-1-ylethyl)benzamide
SMILESCN(CCN1CCNCC1)C(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C14H19Cl2N3O/c1-18(9-10-19-7-5-17-6-8-19)14(20)11-3-2-4-12(15)13(11)16/h2-4,17H,5-10H2,1H3
InChIKeyYRJBRAODSZXKDY-UHFFFAOYSA-N
MW316.23 g/mol
LogP1.97
Rot. Bonds4

About 2,3-dichloro-N-methyl-N-(2-piperazin-1-ylethyl)benzamide

2,3-dichloro-N-methyl-N-(2-piperazin-1-ylethyl)benzamide (PubChem CID 63265748) has the molecular formula C14H19Cl2N3O and a molecular weight of 316.23 g/mol. Its IUPAC name is 2,3-dichloro-N-methyl-N-(2-piperazin-1-ylethyl)benzamide.

Molecular Properties

Compound Name2,3-dichloro-N-methyl-N-(2-piperazin-1-ylethyl)benzamide
PubChem CID63265748
Molecular FormulaC14H19Cl2N3O
Molecular Weight316.23 g/mol
Exact Mass315.09
IUPAC Name2,3-dichloro-N-methyl-N-(2-piperazin-1-ylethyl)benzamide
SMILESCN(CCN1CCNCC1)C(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C14H19Cl2N3O/c1-18(9-10-19-7-5-17-6-8-19)14(20)11-3-2-4-12(15)13(11)16/h2-4,17H,5-10H2,1H3
InChIKeyYRJBRAODSZXKDY-UHFFFAOYSA-N
XLogP1.97
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.23
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dihydroxy-N-methyl-N-(2-piperazin-1-ylethyl)benzamide
CID 114345025
2-fluoro-N,3-dimethyl-N-(2-piperazin-1-ylethyl)benzamide
CID 81477116
N-methyl-2-oxo-N-(2-piperazin-1-ylethyl)-1H-pyridine-3-carboxamide
CID 55168297
N-methyl-N-(2-piperazin-1-ylethyl)benzamide
CID 63265460
3-chloro-N-methyl-N-(2-piperazin-1-ylethyl)benzamide
CID 63265586
2,3-dichloro-N-[2-(dimethylamino)ethyl]-N-methylbenzamide
CID 110484091
2,3-dichloro-N-(3-piperazin-1-ylpropyl)benzamide
CID 43443287
2,4-dihydroxy-N-methyl-N-(2-piperazin-1-ylethyl)benzamide
CID 63265416
N-methyl-N-(2-piperazin-1-ylethyl)-1-benzothiophene-3-carboxamide
CID 63265449
3-chloro-N,4-dimethyl-N-(2-piperazin-1-ylethyl)thiophene-2-carboxamide
CID 103403645
N-methyl-N-(2-piperazin-1-ylethyl)pyridine-4-carboxamide
CID 63265506
2,4-dichloro-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 110753573

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-methyl-N-(2-piperazin-1-ylethyl)benzamide?
The IUPAC name of 2,3-dichloro-N-methyl-N-(2-piperazin-1-ylethyl)benzamide (CID 63265748) is 2,3-dichloro-N-methyl-N-(2-piperazin-1-ylethyl)benzamide.
What is the SMILES notation for 2,3-dichloro-N-methyl-N-(2-piperazin-1-ylethyl)benzamide?
The canonical SMILES for 2,3-dichloro-N-methyl-N-(2-piperazin-1-ylethyl)benzamide is CN(CCN1CCNCC1)C(=O)c1cccc(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-N-methyl-N-(2-piperazin-1-ylethyl)benzamide?
The InChIKey is YRJBRAODSZXKDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2N3O/c1-18(9-10-19-7-5-17-6-8-19)14(20)11-3-2-4-12(15)13(11)16/h2-4,17H,5-10H2,1H3.
What are the key properties of 2,3-dichloro-N-methyl-N-(2-piperazin-1-ylethyl)benzamide?
2,3-dichloro-N-methyl-N-(2-piperazin-1-ylethyl)benzamide has a molecular weight of 316.23 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-methyl-N-(2-piperazin-1-ylethyl)benzamide is sourced from PubChem (CID 63265748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).