2,4-dichloro-N-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]benzamide

C13H13Cl2N3O3 — CID 2468467

IUPAC2,4-dichloro-N-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]benzamide
SMILESO=C1CN(C(=O)CNC(=O)c2ccc(Cl)cc2Cl)CCN1
InChIInChI=1S/C13H13Cl2N3O3/c14-8-1-2-9(10(15)5-8)13(21)17-6-12(20)18-4-3-16-11(19)7-18/h1-2,5H,3-4,6-7H2,(H,16,19)(H,17,21)
InChIKeyYRSIJTCYYSPLGU-UHFFFAOYSA-N
MW330.17 g/mol
LogP0.68
Rot. Bonds3

About 2,4-dichloro-N-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]benzamide

2,4-dichloro-N-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]benzamide (PubChem CID 2468467) has the molecular formula C13H13Cl2N3O3 and a molecular weight of 330.17 g/mol. Its IUPAC name is 2,4-dichloro-N-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]benzamide
PubChem CID2468467
Molecular FormulaC13H13Cl2N3O3
Molecular Weight330.17 g/mol
Exact Mass329.03
IUPAC Name2,4-dichloro-N-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]benzamide
SMILESO=C1CN(C(=O)CNC(=O)c2ccc(Cl)cc2Cl)CCN1
InChIInChI=1S/C13H13Cl2N3O3/c14-8-1-2-9(10(15)5-8)13(21)17-6-12(20)18-4-3-16-11(19)7-18/h1-2,5H,3-4,6-7H2,(H,16,19)(H,17,21)
InChIKeyYRSIJTCYYSPLGU-UHFFFAOYSA-N
XLogP0.68
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.17
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Moclobemide
CID 4235
N-butyl-2-chlorobenzamide
CID 347041
2-Chloro-N-phenethyl-benzamide
CID 692233
4-Chloro-N-(3-(4-morpholinyl)propyl)benzamide
CID 65659
Benzamide, N-(3R)-1-azabicyclo(2.2.2)oct-3-yl-4-chloro-, hydrochloride (1:1)
CID 11243536
N-benzyl-4-chlorobenzamide
CID 346668
N-(1-benzyl-4-piperidinyl)-2,4-dichlorobenzamide
CID 1069892
4-chloro-N-(2-oxo-2-phenylethyl)benzamide
CID 832101
1-(3-Chlorobenzoyl)piperazine
CID 1074765
1-(2-Chloro-benzoyl)-piperazine
CID 2060585
4-Chloro-N-phenethylbenzamide
CID 306479
N-Benzyl-2-chloro-benzamide
CID 347073

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]benzamide (CID 2468467) is 2,4-dichloro-N-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]benzamide is O=C1CN(C(=O)CNC(=O)c2ccc(Cl)cc2Cl)CCN1.
What is the InChIKey of 2,4-dichloro-N-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]benzamide?
The InChIKey is YRSIJTCYYSPLGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N3O3/c14-8-1-2-9(10(15)5-8)13(21)17-6-12(20)18-4-3-16-11(19)7-18/h1-2,5H,3-4,6-7H2,(H,16,19)(H,17,21).
What are the key properties of 2,4-dichloro-N-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]benzamide?
2,4-dichloro-N-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]benzamide has a molecular weight of 330.17 g/mol, XLogP of 0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]benzamide is sourced from PubChem (CID 2468467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).