N-(2,6-dichlorophenyl)-2-oxo-2-pyrrolidin-1-ylacetamide

C12H12Cl2N2O2 — CID 3450597

IUPACN-(2,6-dichlorophenyl)-2-oxo-2-pyrrolidin-1-ylacetamide
SMILESO=C(Nc1c(Cl)cccc1Cl)C(=O)N1CCCC1
InChIInChI=1S/C12H12Cl2N2O2/c13-8-4-3-5-9(14)10(8)15-11(17)12(18)16-6-1-2-7-16/h3-5H,1-2,6-7H2,(H,15,17)
InChIKeyRZTHZZURJHNEMW-UHFFFAOYSA-N
MW287.15 g/mol
LogP2.55
Rot. Bonds1

About N-(2,6-dichlorophenyl)-2-oxo-2-pyrrolidin-1-ylacetamide

N-(2,6-dichlorophenyl)-2-oxo-2-pyrrolidin-1-ylacetamide (PubChem CID 3450597) has the molecular formula C12H12Cl2N2O2 and a molecular weight of 287.15 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-2-oxo-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-2-oxo-2-pyrrolidin-1-ylacetamide
PubChem CID3450597
Molecular FormulaC12H12Cl2N2O2
Molecular Weight287.15 g/mol
Exact Mass286.03
IUPAC NameN-(2,6-dichlorophenyl)-2-oxo-2-pyrrolidin-1-ylacetamide
SMILESO=C(Nc1c(Cl)cccc1Cl)C(=O)N1CCCC1
InChIInChI=1S/C12H12Cl2N2O2/c13-8-4-3-5-9(14)10(8)15-11(17)12(18)16-6-1-2-7-16/h3-5H,1-2,6-7H2,(H,15,17)
InChIKeyRZTHZZURJHNEMW-UHFFFAOYSA-N
XLogP2.55
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.15
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(azepan-1-yl)-N-(3-chloro-2-methylphenyl)-2-oxoacetamide
CID 47335495
N-(2,6-dichlorophenyl)-2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 108532324
N-(2,6-dichlorophenyl)-2-(2,6-dimethylmorpholin-4-yl)-2-oxoacetamide
CID 108504097
2-(azepan-1-yl)-N-(3-chlorophenyl)-2-oxoacetamide
CID 47335488
3-(azepan-1-yl)-N-(2,6-dichlorophenyl)-3-oxopropanamide
CID 108952754
N-(2,6-dichlorophenyl)-3-oxo-3-piperidin-1-ylpropanamide
CID 108942484
N-(2,6-dichlorophenyl)-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044377
N-(2,4-dichlorophenyl)-2-oxo-2-piperidin-1-ylacetamide
CID 2194372
N-(3,5-dichlorophenyl)-2-oxo-2-pyrrolidin-1-ylacetamide
CID 47335591
N-(2-hydroxyphenyl)-2-oxo-2-piperidin-1-ylacetamide
CID 108514226
N-(2,6-dichlorophenyl)-6-(piperidine-1-carbonyl)pyridine-2-carboxamide
CID 109095252
6-(azepane-1-carbonyl)-N-(2,6-dichlorophenyl)pyridine-2-carboxamide
CID 109099941

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-2-oxo-2-pyrrolidin-1-ylacetamide?
The IUPAC name of N-(2,6-dichlorophenyl)-2-oxo-2-pyrrolidin-1-ylacetamide (CID 3450597) is N-(2,6-dichlorophenyl)-2-oxo-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for N-(2,6-dichlorophenyl)-2-oxo-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for N-(2,6-dichlorophenyl)-2-oxo-2-pyrrolidin-1-ylacetamide is O=C(Nc1c(Cl)cccc1Cl)C(=O)N1CCCC1.
What is the InChIKey of N-(2,6-dichlorophenyl)-2-oxo-2-pyrrolidin-1-ylacetamide?
The InChIKey is RZTHZZURJHNEMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N2O2/c13-8-4-3-5-9(14)10(8)15-11(17)12(18)16-6-1-2-7-16/h3-5H,1-2,6-7H2,(H,15,17).
What are the key properties of N-(2,6-dichlorophenyl)-2-oxo-2-pyrrolidin-1-ylacetamide?
N-(2,6-dichlorophenyl)-2-oxo-2-pyrrolidin-1-ylacetamide has a molecular weight of 287.15 g/mol, XLogP of 2.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-2-oxo-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 3450597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).