N-(3,5-dichlorophenyl)-2,2-dimethyl-3,5-dioxopiperazine-1-carboxamide

C13H13Cl2N3O3 — CID 107653959

IUPACN-(3,5-dichlorophenyl)-2,2-dimethyl-3,5-dioxopiperazine-1-carboxamide
SMILESCC1(C)C(=O)NC(=O)CN1C(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H13Cl2N3O3/c1-13(2)11(20)17-10(19)6-18(13)12(21)16-9-4-7(14)3-8(15)5-9/h3-5H,6H2,1-2H3,(H,16,21)(H,17,19,20)
InChIKeyBXFIKBNPOYKQCO-UHFFFAOYSA-N
MW330.17 g/mol
LogP2.26
Rot. Bonds1

About N-(3,5-dichlorophenyl)-2,2-dimethyl-3,5-dioxopiperazine-1-carboxamide

N-(3,5-dichlorophenyl)-2,2-dimethyl-3,5-dioxopiperazine-1-carboxamide (PubChem CID 107653959) has the molecular formula C13H13Cl2N3O3 and a molecular weight of 330.17 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-2,2-dimethyl-3,5-dioxopiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-2,2-dimethyl-3,5-dioxopiperazine-1-carboxamide
PubChem CID107653959
Molecular FormulaC13H13Cl2N3O3
Molecular Weight330.17 g/mol
Exact Mass329.03
IUPAC NameN-(3,5-dichlorophenyl)-2,2-dimethyl-3,5-dioxopiperazine-1-carboxamide
SMILESCC1(C)C(=O)NC(=O)CN1C(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H13Cl2N3O3/c1-13(2)11(20)17-10(19)6-18(13)12(21)16-9-4-7(14)3-8(15)5-9/h3-5H,6H2,1-2H3,(H,16,21)(H,17,19,20)
InChIKeyBXFIKBNPOYKQCO-UHFFFAOYSA-N
XLogP2.26
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.17
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(3-chloro-5-methylbenzoyl)-3,3-dimethylpiperazine-2,6-dione
CID 81324047
2-[(2,2-dimethyl-3,5-dioxopiperazine-1-carbonyl)amino]-2-methylpropanoic acid
CID 66067482
4-(3,5-dichloro-2-iodobenzoyl)-3,3-dimethylpiperazine-2,6-dione
CID 66075733
4-(4-amino-3,5-dichlorobenzoyl)-3,3-dimethylpiperazine-2,6-dione
CID 82813797
2,2-dimethyl-3,5-dioxo-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
CID 113463021
methyl 2-(2,2-dimethyl-3,5-dioxopiperazin-1-yl)-2-oxoacetate
CID 112617395
4-[3-(4-chlorophenyl)prop-2-enoyl]-3,3-dimethylpiperazine-2,6-dione
CID 77112081
4-(3-chloro-4-iodobenzoyl)-3,3-dimethylpiperazine-2,6-dione
CID 103209286
2-(2,2-dimethyl-3,5-dioxopiperazin-1-yl)-2-oxoacetohydrazide
CID 66067870
2-[(2,2-dimethyl-3,5-dioxopiperazine-1-carbonyl)amino]-3-hydroxypropanoic acid
CID 66076379
4-(5-chlorofuran-2-carbonyl)-3,3-dimethylpiperazine-2,6-dione
CID 66074370
N-(3,5-dichlorophenyl)-4,4-dimethyl-2-sulfanylideneimidazolidine-1-carboxamide
CID 134103003

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-2,2-dimethyl-3,5-dioxopiperazine-1-carboxamide?
The IUPAC name of N-(3,5-dichlorophenyl)-2,2-dimethyl-3,5-dioxopiperazine-1-carboxamide (CID 107653959) is N-(3,5-dichlorophenyl)-2,2-dimethyl-3,5-dioxopiperazine-1-carboxamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-2,2-dimethyl-3,5-dioxopiperazine-1-carboxamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-2,2-dimethyl-3,5-dioxopiperazine-1-carboxamide is CC1(C)C(=O)NC(=O)CN1C(=O)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of N-(3,5-dichlorophenyl)-2,2-dimethyl-3,5-dioxopiperazine-1-carboxamide?
The InChIKey is BXFIKBNPOYKQCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N3O3/c1-13(2)11(20)17-10(19)6-18(13)12(21)16-9-4-7(14)3-8(15)5-9/h3-5H,6H2,1-2H3,(H,16,21)(H,17,19,20).
What are the key properties of N-(3,5-dichlorophenyl)-2,2-dimethyl-3,5-dioxopiperazine-1-carboxamide?
N-(3,5-dichlorophenyl)-2,2-dimethyl-3,5-dioxopiperazine-1-carboxamide has a molecular weight of 330.17 g/mol, XLogP of 2.26, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-2,2-dimethyl-3,5-dioxopiperazine-1-carboxamide is sourced from PubChem (CID 107653959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).