2-[1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl-N-(4-fluorophenyl)acetamide

C18H14ClFN2O3S — CID 2839746

IUPAC2-[1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl-N-(4-fluorophenyl)acetamide
SMILESO=C(CSC1CC(=O)N(c2cccc(Cl)c2)C1=O)Nc1ccc(F)cc1
InChIInChI=1S/C18H14ClFN2O3S/c19-11-2-1-3-14(8-11)22-17(24)9-15(18(22)25)26-10-16(23)21-13-6-4-12(20)5-7-13/h1-8,15H,9-10H2,(H,21,23)
InChIKeyUCYAUDRHFUUWMV-UHFFFAOYSA-N
MW392.84 g/mol
LogP3.48
Rot. Bonds5

About 2-[1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl-N-(4-fluorophenyl)acetamide

2-[1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl-N-(4-fluorophenyl)acetamide (PubChem CID 2839746) has the molecular formula C18H14ClFN2O3S and a molecular weight of 392.84 g/mol. Its IUPAC name is 2-[1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl-N-(4-fluorophenyl)acetamide
PubChem CID2839746
Molecular FormulaC18H14ClFN2O3S
Molecular Weight392.84 g/mol
Exact Mass392.04
IUPAC Name2-[1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl-N-(4-fluorophenyl)acetamide
SMILESO=C(CSC1CC(=O)N(c2cccc(Cl)c2)C1=O)Nc1ccc(F)cc1
InChIInChI=1S/C18H14ClFN2O3S/c19-11-2-1-3-14(8-11)22-17(24)9-15(18(22)25)26-10-16(23)21-13-6-4-12(20)5-7-13/h1-8,15H,9-10H2,(H,21,23)
InChIKeyUCYAUDRHFUUWMV-UHFFFAOYSA-N
XLogP3.48
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.84
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl-N-(4-fluorophenyl)acetamide (CID 2839746) is 2-[1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl-N-(4-fluorophenyl)acetamide is O=C(CSC1CC(=O)N(c2cccc(Cl)c2)C1=O)Nc1ccc(F)cc1.
What is the InChIKey of 2-[1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl-N-(4-fluorophenyl)acetamide?
The InChIKey is UCYAUDRHFUUWMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN2O3S/c19-11-2-1-3-14(8-11)22-17(24)9-15(18(22)25)26-10-16(23)21-13-6-4-12(20)5-7-13/h1-8,15H,9-10H2,(H,21,23).
What are the key properties of 2-[1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl-N-(4-fluorophenyl)acetamide?
2-[1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl-N-(4-fluorophenyl)acetamide has a molecular weight of 392.84 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 2839746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).