N-(3,5-dichlorophenyl)-2-oxo-2-pyrrolidin-1-ylacetamide

C12H12Cl2N2O2 — CID 47335591

IUPACN-(3,5-dichlorophenyl)-2-oxo-2-pyrrolidin-1-ylacetamide
SMILESO=C(Nc1cc(Cl)cc(Cl)c1)C(=O)N1CCCC1
InChIInChI=1S/C12H12Cl2N2O2/c13-8-5-9(14)7-10(6-8)15-11(17)12(18)16-3-1-2-4-16/h5-7H,1-4H2,(H,15,17)
InChIKeyAJENTJHJIREPJM-UHFFFAOYSA-N
MW287.15 g/mol
LogP2.55
Rot. Bonds1

About N-(3,5-dichlorophenyl)-2-oxo-2-pyrrolidin-1-ylacetamide

N-(3,5-dichlorophenyl)-2-oxo-2-pyrrolidin-1-ylacetamide (PubChem CID 47335591) has the molecular formula C12H12Cl2N2O2 and a molecular weight of 287.15 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-2-oxo-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-2-oxo-2-pyrrolidin-1-ylacetamide
PubChem CID47335591
Molecular FormulaC12H12Cl2N2O2
Molecular Weight287.15 g/mol
Exact Mass286.03
IUPAC NameN-(3,5-dichlorophenyl)-2-oxo-2-pyrrolidin-1-ylacetamide
SMILESO=C(Nc1cc(Cl)cc(Cl)c1)C(=O)N1CCCC1
InChIInChI=1S/C12H12Cl2N2O2/c13-8-5-9(14)7-10(6-8)15-11(17)12(18)16-3-1-2-4-16/h5-7H,1-4H2,(H,15,17)
InChIKeyAJENTJHJIREPJM-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

N-(3,5-dichlorophenyl)-2-(4-methylpiperidin-1-yl)-2-oxoacetamide
CID 47336395
2-(azepan-1-yl)-N-(3-chlorophenyl)-2-oxoacetamide
CID 47335488
N-(3,5-dichlorophenyl)-1-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
CID 108971734
N-(2,4-dichlorophenyl)-2-oxo-2-piperidin-1-ylacetamide
CID 2194372
N-(3,5-dichlorophenyl)-2,2-dimethyl-3-oxo-3-piperidin-1-ylpropanamide
CID 108958898
N-(2,6-dichlorophenyl)-2-oxo-2-pyrrolidin-1-ylacetamide
CID 3450597
N-(3-chloro-5-fluorophenyl)azepane-1-carboxamide
CID 103774779
(3S)-1-[(3,5-dichlorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 81125485
N-(3,5-dichloro-4-methylphenyl)-2-oxo-2-piperazin-1-ylacetamide
CID 23555753
1-[2-(3,5-dichloroanilino)-2-oxoethanethioyl]piperidine-4-carboxamide
CID 17385988
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-oxo-2-pyrrolidin-1-ylacetamide
CID 108984030
N-(3-acetylphenyl)-2-oxo-2-piperidin-1-ylacetamide
CID 2194073

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-2-oxo-2-pyrrolidin-1-ylacetamide?
The IUPAC name of N-(3,5-dichlorophenyl)-2-oxo-2-pyrrolidin-1-ylacetamide (CID 47335591) is N-(3,5-dichlorophenyl)-2-oxo-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-2-oxo-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-2-oxo-2-pyrrolidin-1-ylacetamide is O=C(Nc1cc(Cl)cc(Cl)c1)C(=O)N1CCCC1.
What is the InChIKey of N-(3,5-dichlorophenyl)-2-oxo-2-pyrrolidin-1-ylacetamide?
The InChIKey is AJENTJHJIREPJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N2O2/c13-8-5-9(14)7-10(6-8)15-11(17)12(18)16-3-1-2-4-16/h5-7H,1-4H2,(H,15,17).
What are the key properties of N-(3,5-dichlorophenyl)-2-oxo-2-pyrrolidin-1-ylacetamide?
N-(3,5-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-(3,5-dichlorophenyl)-2-oxo-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 47335591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).