1-(3,4-dichlorophenyl)-3-(2-thiophen-2-ylpyrrolidine-1-carbonyl)pyrrolidin-2-one

C19H18Cl2N2O2S — CID 71937937

IUPAC1-(3,4-dichlorophenyl)-3-(2-thiophen-2-ylpyrrolidine-1-carbonyl)pyrrolidin-2-one
SMILESO=C1C(C(=O)N2CCCC2c2cccs2)CCN1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H18Cl2N2O2S/c20-14-6-5-12(11-15(14)21)22-9-7-13(18(22)24)19(25)23-8-1-3-16(23)17-4-2-10-26-17/h2,4-6,10-11,13,16H,1,3,7-9H2
InChIKeyXUYXTOPJCSQAJQ-UHFFFAOYSA-N
MW409.34 g/mol
LogP4.77
Rot. Bonds3

About 1-(3,4-dichlorophenyl)-3-(2-thiophen-2-ylpyrrolidine-1-carbonyl)pyrrolidin-2-one

1-(3,4-dichlorophenyl)-3-(2-thiophen-2-ylpyrrolidine-1-carbonyl)pyrrolidin-2-one (PubChem CID 71937937) has the molecular formula C19H18Cl2N2O2S and a molecular weight of 409.34 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-(2-thiophen-2-ylpyrrolidine-1-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-(2-thiophen-2-ylpyrrolidine-1-carbonyl)pyrrolidin-2-one
PubChem CID71937937
Molecular FormulaC19H18Cl2N2O2S
Molecular Weight409.34 g/mol
Exact Mass408.05
IUPAC Name1-(3,4-dichlorophenyl)-3-(2-thiophen-2-ylpyrrolidine-1-carbonyl)pyrrolidin-2-one
SMILESO=C1C(C(=O)N2CCCC2c2cccs2)CCN1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H18Cl2N2O2S/c20-14-6-5-12(11-15(14)21)22-9-7-13(18(22)24)19(25)23-8-1-3-16(23)17-4-2-10-26-17/h2,4-6,10-11,13,16H,1,3,7-9H2
InChIKeyXUYXTOPJCSQAJQ-UHFFFAOYSA-N
XLogP4.77
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.34
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3-[2-(aminomethyl)pyrrolidine-1-carbonyl]-1-(3,4-dichlorophenyl)pyrrolidin-2-one;hydrochloride
CID 119631172
(5-bromo-2-chlorophenyl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
CID 43004671
1-(4-chlorophenyl)-3-(2-pyridin-4-ylazepane-1-carbonyl)pyrrolidin-2-one
CID 86829334
(3-chlorophenyl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
CID 47102179
1-(3,4-dichlorophenyl)-N-(2-hydroxyethyl)-2-oxopyrrolidine-3-carboxamide
CID 110902862
(2-chlorofuran-3-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
CID 106686175
3-(3,4-dichlorophenyl)-5-thiophen-2-ylimidazolidine-2,4-dione
CID 115285707
(2S)-N-(2-chloro-4-methylphenyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 92500015
3-chloro-2,2-dimethyl-1-(2-thiophen-2-ylpyrrolidin-1-yl)propan-1-one
CID 63679619
2-(2-chloroanilino)-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone
CID 51199463
(E)-4-oxo-4-(2-thiophen-2-ylpyrrolidin-1-yl)but-2-enoic acid
CID 54874829
ethyl (2R)-2-thiophen-2-ylpyrrolidine-1-carboxylate
CID 95358480

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-3-(2-thiophen-2-ylpyrrolidine-1-carbonyl)pyrrolidin-2-one?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-(2-thiophen-2-ylpyrrolidine-1-carbonyl)pyrrolidin-2-one (CID 71937937) is 1-(3,4-dichlorophenyl)-3-(2-thiophen-2-ylpyrrolidine-1-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-(2-thiophen-2-ylpyrrolidine-1-carbonyl)pyrrolidin-2-one?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-(2-thiophen-2-ylpyrrolidine-1-carbonyl)pyrrolidin-2-one is O=C1C(C(=O)N2CCCC2c2cccs2)CCN1c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3-(2-thiophen-2-ylpyrrolidine-1-carbonyl)pyrrolidin-2-one?
The InChIKey is XUYXTOPJCSQAJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N2O2S/c20-14-6-5-12(11-15(14)21)22-9-7-13(18(22)24)19(25)23-8-1-3-16(23)17-4-2-10-26-17/h2,4-6,10-11,13,16H,1,3,7-9H2.
What are the key properties of 1-(3,4-dichlorophenyl)-3-(2-thiophen-2-ylpyrrolidine-1-carbonyl)pyrrolidin-2-one?
1-(3,4-dichlorophenyl)-3-(2-thiophen-2-ylpyrrolidine-1-carbonyl)pyrrolidin-2-one has a molecular weight of 409.34 g/mol, XLogP of 4.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-3-(2-thiophen-2-ylpyrrolidine-1-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 71937937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).