N-(3,4-dichlorophenyl)-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide

C14H15Cl2N3O3 — CID 5310159

IUPACN-(3,4-dichlorophenyl)-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide
SMILESCCN1CCN(CC(=O)Nc2ccc(Cl)c(Cl)c2)C(=O)C1=O
InChIInChI=1S/C14H15Cl2N3O3/c1-2-18-5-6-19(14(22)13(18)21)8-12(20)17-9-3-4-10(15)11(16)7-9/h3-4,7H,2,5-6,8H2,1H3,(H,17,20)
InChIKeyYQZDJHFHBMLSBM-UHFFFAOYSA-N
MW344.20 g/mol
LogP1.62
Rot. Bonds4

About N-(3,4-dichlorophenyl)-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide

N-(3,4-dichlorophenyl)-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide (PubChem CID 5310159) has the molecular formula C14H15Cl2N3O3 and a molecular weight of 344.20 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide
PubChem CID5310159
Molecular FormulaC14H15Cl2N3O3
Molecular Weight344.20 g/mol
Exact Mass343.05
IUPAC NameN-(3,4-dichlorophenyl)-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide
SMILESCCN1CCN(CC(=O)Nc2ccc(Cl)c(Cl)c2)C(=O)C1=O
InChIInChI=1S/C14H15Cl2N3O3/c1-2-18-5-6-19(14(22)13(18)21)8-12(20)17-9-3-4-10(15)11(16)7-9/h3-4,7H,2,5-6,8H2,1H3,(H,17,20)
InChIKeyYQZDJHFHBMLSBM-UHFFFAOYSA-N
XLogP1.62
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.20
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze N-(3,4-dichlorophenyl)-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Diuron
CID 3120
Propanil
CID 4933
6-Chloro-1,4-dihydro-2,3-quinoxalinedione
CID 81143
Neburon
CID 11145
3,4-Dichloroacetanilide
CID 16530
Nbd-556
CID 1570601
2,3-Dihydroxy-6,7-dichloroquinoxaline
CID 1845
1-(3,4-Dichlorophenyl)piperazine
CID 93601
N1-(3,4-dichlorophenyl)-2-hydrazino-2-oxoacetamide
CID 2818703
N-(3,4-dichlorophenyl)morpholine-4-carboxamide
CID 3863406
Acetamide, 2-((3,4-dichlorophenyl)amino)-N-hydroxy-
CID 203276
1-[4-(4-Chlorophenyl)piperazin-1-yl]ethan-1-one
CID 258327

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide?
The IUPAC name of N-(3,4-dichlorophenyl)-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide (CID 5310159) is N-(3,4-dichlorophenyl)-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide is CCN1CCN(CC(=O)Nc2ccc(Cl)c(Cl)c2)C(=O)C1=O.
What is the InChIKey of N-(3,4-dichlorophenyl)-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide?
The InChIKey is YQZDJHFHBMLSBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N3O3/c1-2-18-5-6-19(14(22)13(18)21)8-12(20)17-9-3-4-10(15)11(16)7-9/h3-4,7H,2,5-6,8H2,1H3,(H,17,20).
What are the key properties of N-(3,4-dichlorophenyl)-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide?
N-(3,4-dichlorophenyl)-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide has a molecular weight of 344.20 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide is sourced from PubChem (CID 5310159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).