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

C18H10Cl2F2N2O3S — CID 3549615

IUPAC2-[5-[(2,3-dichlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(2,4-difluorophenyl)acetamide
SMILESO=C(CN1C(=O)SC(=Cc2cccc(Cl)c2Cl)C1=O)Nc1ccc(F)cc1F
InChIInChI=1S/C18H10Cl2F2N2O3S/c19-11-3-1-2-9(16(11)20)6-14-17(26)24(18(27)28-14)8-15(25)23-13-5-4-10(21)7-12(13)22/h1-7H,8H2,(H,23,25)
InChIKeySQPVCVPCNBLBME-UHFFFAOYSA-N
MW443.26 g/mol
LogP4.95
Rot. Bonds4

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

2-[5-[(2,3-dichlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(2,4-difluorophenyl)acetamide (PubChem CID 3549615) has the molecular formula C18H10Cl2F2N2O3S and a molecular weight of 443.26 g/mol. Its IUPAC name is 2-[5-[(2,3-dichlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(2,4-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-[5-[(2,3-dichlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(2,4-difluorophenyl)acetamide
PubChem CID3549615
Molecular FormulaC18H10Cl2F2N2O3S
Molecular Weight443.26 g/mol
Exact Mass441.98
IUPAC Name2-[5-[(2,3-dichlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(2,4-difluorophenyl)acetamide
SMILESO=C(CN1C(=O)SC(=Cc2cccc(Cl)c2Cl)C1=O)Nc1ccc(F)cc1F
InChIInChI=1S/C18H10Cl2F2N2O3S/c19-11-3-1-2-9(16(11)20)6-14-17(26)24(18(27)28-14)8-15(25)23-13-5-4-10(21)7-12(13)22/h1-7H,8H2,(H,23,25)
InChIKeySQPVCVPCNBLBME-UHFFFAOYSA-N
XLogP4.95
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.26
LogP ≤ 54.95
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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Related Compounds

2-[(5E)-5-[(5-chloro-2-ethoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(2,4-difluorophenyl)acetamide
CID 124548232
N-(2,4-difluorophenyl)-2-[5-[(2-ethoxy-3-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
CID 3892095
2-[(5E)-5-[[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(2,4-difluorophenyl)acetamide
CID 126280654
N-(2,4-difluorophenyl)-2-[5-[(3,4-dihydroxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
CID 4044245
2-[5-[(5-bromo-2-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(2,4-difluorophenyl)acetamide
CID 3351555
N-(2,4-difluorophenyl)-2-[(5Z)-5-[[2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrrol-3-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
CID 126277510
N-[2-[2-[(5Z)-5-[(2,3-dichlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethylamino]-2-oxoethyl]-3-fluorobenzamide
CID 24538672
(5E)-3-[2-(4-chlorophenyl)-2-oxoethyl]-5-[(2,3-dichlorophenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 126352001
2-(4-chloro-1,3-dioxoisoindol-2-yl)-N-(2,4-difluorophenyl)acetamide
CID 113201414
2-[(5Z)-5-[[5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(2,4-difluorophenyl)acetamide
CID 126278939
4-chloro-3-[5-[(Z)-[3-[2-(2,4-difluoroanilino)-2-oxoethyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]benzoic acid
CID 126281829
2-[(5E)-5-[(3-chlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(2,3,4-trifluorophenyl)acetamide
CID 126361058

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(2,3-dichlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(2,4-difluorophenyl)acetamide?
The IUPAC name of 2-[5-[(2,3-dichlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(2,4-difluorophenyl)acetamide (CID 3549615) is 2-[5-[(2,3-dichlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(2,4-difluorophenyl)acetamide.
What is the SMILES notation for 2-[5-[(2,3-dichlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(2,4-difluorophenyl)acetamide?
The canonical SMILES for 2-[5-[(2,3-dichlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(2,4-difluorophenyl)acetamide is O=C(CN1C(=O)SC(=Cc2cccc(Cl)c2Cl)C1=O)Nc1ccc(F)cc1F.
What is the InChIKey of 2-[5-[(2,3-dichlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(2,4-difluorophenyl)acetamide?
The InChIKey is SQPVCVPCNBLBME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10Cl2F2N2O3S/c19-11-3-1-2-9(16(11)20)6-14-17(26)24(18(27)28-14)8-15(25)23-13-5-4-10(21)7-12(13)22/h1-7H,8H2,(H,23,25).
What are the key properties of 2-[5-[(2,3-dichlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(2,4-difluorophenyl)acetamide?
2-[5-[(2,3-dichlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(2,4-difluorophenyl)acetamide has a molecular weight of 443.26 g/mol, XLogP of 4.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(2,3-dichlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(2,4-difluorophenyl)acetamide is sourced from PubChem (CID 3549615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).