N-(4-chlorophenyl)-2-[5-[2-(4-fluoroanilino)-2-oxoethylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide

C19H13ClFN3O4S — CID 1416711

IUPACN-(4-chlorophenyl)-2-[5-[2-(4-fluoroanilino)-2-oxoethylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
SMILESO=C(C=C1SC(=O)N(CC(=O)Nc2ccc(Cl)cc2)C1=O)Nc1ccc(F)cc1
InChIInChI=1S/C19H13ClFN3O4S/c20-11-1-5-13(6-2-11)23-17(26)10-24-18(27)15(29-19(24)28)9-16(25)22-14-7-3-12(21)4-8-14/h1-9H,10H2,(H,22,25)(H,23,26)
InChIKeyFFCFMRGYFJEUGB-UHFFFAOYSA-N
MW433.85 g/mol
LogP3.64
Rot. Bonds5

About N-(4-chlorophenyl)-2-[5-[2-(4-fluoroanilino)-2-oxoethylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide

N-(4-chlorophenyl)-2-[5-[2-(4-fluoroanilino)-2-oxoethylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide (PubChem CID 1416711) has the molecular formula C19H13ClFN3O4S and a molecular weight of 433.85 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[5-[2-(4-fluoroanilino)-2-oxoethylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[5-[2-(4-fluoroanilino)-2-oxoethylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
PubChem CID1416711
Molecular FormulaC19H13ClFN3O4S
Molecular Weight433.85 g/mol
Exact Mass433.03
IUPAC NameN-(4-chlorophenyl)-2-[5-[2-(4-fluoroanilino)-2-oxoethylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
SMILESO=C(C=C1SC(=O)N(CC(=O)Nc2ccc(Cl)cc2)C1=O)Nc1ccc(F)cc1
InChIInChI=1S/C19H13ClFN3O4S/c20-11-1-5-13(6-2-11)23-17(26)10-24-18(27)15(29-19(24)28)9-16(25)22-14-7-3-12(21)4-8-14/h1-9H,10H2,(H,22,25)(H,23,26)
InChIKeyFFCFMRGYFJEUGB-UHFFFAOYSA-N
XLogP3.64
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.85
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[5-[2-(4-fluoroanilino)-2-oxoethylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[5-[2-(4-fluoroanilino)-2-oxoethylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide (CID 1416711) is N-(4-chlorophenyl)-2-[5-[2-(4-fluoroanilino)-2-oxoethylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[5-[2-(4-fluoroanilino)-2-oxoethylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[5-[2-(4-fluoroanilino)-2-oxoethylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide is O=C(C=C1SC(=O)N(CC(=O)Nc2ccc(Cl)cc2)C1=O)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-[5-[2-(4-fluoroanilino)-2-oxoethylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide?
The InChIKey is FFCFMRGYFJEUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClFN3O4S/c20-11-1-5-13(6-2-11)23-17(26)10-24-18(27)15(29-19(24)28)9-16(25)22-14-7-3-12(21)4-8-14/h1-9H,10H2,(H,22,25)(H,23,26).
What are the key properties of N-(4-chlorophenyl)-2-[5-[2-(4-fluoroanilino)-2-oxoethylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide?
N-(4-chlorophenyl)-2-[5-[2-(4-fluoroanilino)-2-oxoethylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide has a molecular weight of 433.85 g/mol, XLogP of 3.64, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[5-[2-(4-fluoroanilino)-2-oxoethylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide is sourced from PubChem (CID 1416711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).