N-[2-(2-chloro-6-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-(1,3-dioxoisoindol-2-yl)acetamide

C19H13ClFN3O4S — CID 56930776

IUPACN-[2-(2-chloro-6-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-(1,3-dioxoisoindol-2-yl)acetamide
SMILESO=C(CN1C(=O)c2ccccc2C1=O)NN1C(=O)CSC1c1c(F)cccc1Cl
InChIInChI=1S/C19H13ClFN3O4S/c20-12-6-3-7-13(21)16(12)19-24(15(26)9-29-19)22-14(25)8-23-17(27)10-4-1-2-5-11(10)18(23)28/h1-7,19H,8-9H2,(H,22,25)
InChIKeyFGBCDXBQGGAAES-UHFFFAOYSA-N
MW433.85 g/mol
LogP2.38
Rot. Bonds4

About N-[2-(2-chloro-6-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-(1,3-dioxoisoindol-2-yl)acetamide

N-[2-(2-chloro-6-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-(1,3-dioxoisoindol-2-yl)acetamide (PubChem CID 56930776) has the molecular formula C19H13ClFN3O4S and a molecular weight of 433.85 g/mol. Its IUPAC name is N-[2-(2-chloro-6-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-(1,3-dioxoisoindol-2-yl)acetamide.

Molecular Properties

Compound NameN-[2-(2-chloro-6-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-(1,3-dioxoisoindol-2-yl)acetamide
PubChem CID56930776
Molecular FormulaC19H13ClFN3O4S
Molecular Weight433.85 g/mol
Exact Mass433.03
IUPAC NameN-[2-(2-chloro-6-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-(1,3-dioxoisoindol-2-yl)acetamide
SMILESO=C(CN1C(=O)c2ccccc2C1=O)NN1C(=O)CSC1c1c(F)cccc1Cl
InChIInChI=1S/C19H13ClFN3O4S/c20-12-6-3-7-13(21)16(12)19-24(15(26)9-29-19)22-14(25)8-23-17(27)10-4-1-2-5-11(10)18(23)28/h1-7,19H,8-9H2,(H,22,25)
InChIKeyFGBCDXBQGGAAES-UHFFFAOYSA-N
XLogP2.38
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.85
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloro-6-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-(1,3-dioxoisoindol-2-yl)acetamide?
The IUPAC name of N-[2-(2-chloro-6-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-(1,3-dioxoisoindol-2-yl)acetamide (CID 56930776) is N-[2-(2-chloro-6-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-(1,3-dioxoisoindol-2-yl)acetamide.
What is the SMILES notation for N-[2-(2-chloro-6-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-(1,3-dioxoisoindol-2-yl)acetamide?
The canonical SMILES for N-[2-(2-chloro-6-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-(1,3-dioxoisoindol-2-yl)acetamide is O=C(CN1C(=O)c2ccccc2C1=O)NN1C(=O)CSC1c1c(F)cccc1Cl.
What is the InChIKey of N-[2-(2-chloro-6-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-(1,3-dioxoisoindol-2-yl)acetamide?
The InChIKey is FGBCDXBQGGAAES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClFN3O4S/c20-12-6-3-7-13(21)16(12)19-24(15(26)9-29-19)22-14(25)8-23-17(27)10-4-1-2-5-11(10)18(23)28/h1-7,19H,8-9H2,(H,22,25).
What are the key properties of N-[2-(2-chloro-6-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-(1,3-dioxoisoindol-2-yl)acetamide?
N-[2-(2-chloro-6-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-(1,3-dioxoisoindol-2-yl)acetamide has a molecular weight of 433.85 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloro-6-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-(1,3-dioxoisoindol-2-yl)acetamide is sourced from PubChem (CID 56930776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).