2-[(5E)-5-[(3,4-dichlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(2-fluorophenyl)acetamide

C18H11Cl2FN2O3S — CID 2163114

IUPAC2-[(5E)-5-[(3,4-dichlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(2-fluorophenyl)acetamide
SMILESO=C(CN1C(=O)S/C(=C/c2ccc(Cl)c(Cl)c2)C1=O)Nc1ccccc1F
InChIInChI=1S/C18H11Cl2FN2O3S/c19-11-6-5-10(7-12(11)20)8-15-17(25)23(18(26)27-15)9-16(24)22-14-4-2-1-3-13(14)21/h1-8H,9H2,(H,22,24)/b15-8+
InChIKeyNWBMPEBCQCRGQU-OVCLIPMQSA-N
MW425.27 g/mol
LogP4.81
Rot. Bonds4

About 2-[(5E)-5-[(3,4-dichlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(2-fluorophenyl)acetamide

2-[(5E)-5-[(3,4-dichlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(2-fluorophenyl)acetamide (PubChem CID 2163114) has the molecular formula C18H11Cl2FN2O3S and a molecular weight of 425.27 g/mol. Its IUPAC name is 2-[(5E)-5-[(3,4-dichlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[(5E)-5-[(3,4-dichlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(2-fluorophenyl)acetamide
PubChem CID2163114
Molecular FormulaC18H11Cl2FN2O3S
Molecular Weight425.27 g/mol
Exact Mass423.99
IUPAC Name2-[(5E)-5-[(3,4-dichlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(2-fluorophenyl)acetamide
SMILESO=C(CN1C(=O)S/C(=C/c2ccc(Cl)c(Cl)c2)C1=O)Nc1ccccc1F
InChIInChI=1S/C18H11Cl2FN2O3S/c19-11-6-5-10(7-12(11)20)8-15-17(25)23(18(26)27-15)9-16(24)22-14-4-2-1-3-13(14)21/h1-8H,9H2,(H,22,24)/b15-8+
InChIKeyNWBMPEBCQCRGQU-OVCLIPMQSA-N
XLogP4.81
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.27
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 2-[(5E)-5-[(3,4-dichlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(2-fluorophenyl)acetamide?
The IUPAC name of 2-[(5E)-5-[(3,4-dichlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(2-fluorophenyl)acetamide (CID 2163114) is 2-[(5E)-5-[(3,4-dichlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-[(5E)-5-[(3,4-dichlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-[(5E)-5-[(3,4-dichlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(2-fluorophenyl)acetamide is O=C(CN1C(=O)S/C(=C/c2ccc(Cl)c(Cl)c2)C1=O)Nc1ccccc1F.
What is the InChIKey of 2-[(5E)-5-[(3,4-dichlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(2-fluorophenyl)acetamide?
The InChIKey is NWBMPEBCQCRGQU-OVCLIPMQSA-N. The full InChI is InChI=1S/C18H11Cl2FN2O3S/c19-11-6-5-10(7-12(11)20)8-15-17(25)23(18(26)27-15)9-16(24)22-14-4-2-1-3-13(14)21/h1-8H,9H2,(H,22,24)/b15-8+.
What are the key properties of 2-[(5E)-5-[(3,4-dichlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(2-fluorophenyl)acetamide?
2-[(5E)-5-[(3,4-dichlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(2-fluorophenyl)acetamide has a molecular weight of 425.27 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5E)-5-[(3,4-dichlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 2163114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).