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

C17H21Cl2N3O3 — CID 55978200

IUPACN-[(3,4-dichlorophenyl)methyl]-N-ethyl-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide
SMILESCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)CN1CCN(CC)C(=O)C1=O
InChIInChI=1S/C17H21Cl2N3O3/c1-3-20-7-8-22(17(25)16(20)24)11-15(23)21(4-2)10-12-5-6-13(18)14(19)9-12/h5-6,9H,3-4,7-8,10-11H2,1-2H3
InChIKeyUELGZMMBRAQPMW-UHFFFAOYSA-N
MW386.28 g/mol
LogP2.03
Rot. Bonds6

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

N-[(3,4-dichlorophenyl)methyl]-N-ethyl-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide (PubChem CID 55978200) has the molecular formula C17H21Cl2N3O3 and a molecular weight of 386.28 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-N-ethyl-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-N-ethyl-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide
PubChem CID55978200
Molecular FormulaC17H21Cl2N3O3
Molecular Weight386.28 g/mol
Exact Mass385.10
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-N-ethyl-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide
SMILESCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)CN1CCN(CC)C(=O)C1=O
InChIInChI=1S/C17H21Cl2N3O3/c1-3-20-7-8-22(17(25)16(20)24)11-15(23)21(4-2)10-12-5-6-13(18)14(19)9-12/h5-6,9H,3-4,7-8,10-11H2,1-2H3
InChIKeyUELGZMMBRAQPMW-UHFFFAOYSA-N
XLogP2.03
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.28
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-chlorophenyl)methyl]-N-ethyl-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide
CID 60546030
2-amino-N-[(3,4-dichlorophenyl)methyl]-N-ethylacetamide
CID 66568191
N-[(3,4-dichlorophenyl)methyl]-N-ethylpyrrolidine-3-carboxamide
CID 119743617
N-(3-aminopropyl)-N-benzyl-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide
CID 120649665
N-[(2-chloro-6-fluorophenyl)methyl]-2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-methylacetamide
CID 46490768
N-[(3,4-dichlorophenyl)methyl]-N-ethyl-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119743612
tert-butyl 2-[(3,4-dichlorophenyl)methyl-ethylcarbamoyl]piperidine-1-carboxylate
CID 71635198
5-[(3,4-dichlorophenyl)methyl]-N,N-diethyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 42875331
N-[(3,4-dichlorophenyl)methyl]-2-[2-(diethylamino)-2-oxoethyl]sulfanyl-N-methylacetamide
CID 112792453
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide
CID 51110537
2-[(3aR,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[(3,4-dichlorophenyl)methyl]-N-(3-hydroxypropyl)acetamide
CID 98234498
N-ethyl-2-(2-oxo-1,3-oxazolidin-3-yl)-N-[(4-propan-2-ylphenyl)methyl]acetamide
CID 72894795

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-N-ethyl-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-N-ethyl-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide (CID 55978200) is N-[(3,4-dichlorophenyl)methyl]-N-ethyl-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-N-ethyl-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-N-ethyl-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide is CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)CN1CCN(CC)C(=O)C1=O.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-N-ethyl-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide?
The InChIKey is UELGZMMBRAQPMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21Cl2N3O3/c1-3-20-7-8-22(17(25)16(20)24)11-15(23)21(4-2)10-12-5-6-13(18)14(19)9-12/h5-6,9H,3-4,7-8,10-11H2,1-2H3.
What are the key properties of N-[(3,4-dichlorophenyl)methyl]-N-ethyl-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide?
N-[(3,4-dichlorophenyl)methyl]-N-ethyl-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide has a molecular weight of 386.28 g/mol, XLogP of 2.03, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methyl]-N-ethyl-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide is sourced from PubChem (CID 55978200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).