3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]-N-[2-(3-fluorophenyl)ethyl]benzamide

C19H17FN2O3S — CID 31401431

IUPAC3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]-N-[2-(3-fluorophenyl)ethyl]benzamide
SMILESO=C(NCCc1cccc(F)c1)c1cccc(CN2C(=O)CSC2=O)c1
InChIInChI=1S/C19H17FN2O3S/c20-16-6-2-3-13(10-16)7-8-21-18(24)15-5-1-4-14(9-15)11-22-17(23)12-26-19(22)25/h1-6,9-10H,7-8,11-12H2,(H,21,24)
InChIKeyKPIZBUCRZIJLIG-UHFFFAOYSA-N
MW372.42 g/mol
LogP2.99
Rot. Bonds6

About 3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]-N-[2-(3-fluorophenyl)ethyl]benzamide

3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]-N-[2-(3-fluorophenyl)ethyl]benzamide (PubChem CID 31401431) has the molecular formula C19H17FN2O3S and a molecular weight of 372.42 g/mol. Its IUPAC name is 3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]-N-[2-(3-fluorophenyl)ethyl]benzamide.

Molecular Properties

Compound Name3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]-N-[2-(3-fluorophenyl)ethyl]benzamide
PubChem CID31401431
Molecular FormulaC19H17FN2O3S
Molecular Weight372.42 g/mol
Exact Mass372.09
IUPAC Name3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]-N-[2-(3-fluorophenyl)ethyl]benzamide
SMILESO=C(NCCc1cccc(F)c1)c1cccc(CN2C(=O)CSC2=O)c1
InChIInChI=1S/C19H17FN2O3S/c20-16-6-2-3-13(10-16)7-8-21-18(24)15-5-1-4-14(9-15)11-22-17(23)12-26-19(22)25/h1-6,9-10H,7-8,11-12H2,(H,21,24)
InChIKeyKPIZBUCRZIJLIG-UHFFFAOYSA-N
XLogP2.99
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]-N-[2-(3-fluorophenyl)ethyl]benzamide?
The IUPAC name of 3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]-N-[2-(3-fluorophenyl)ethyl]benzamide (CID 31401431) is 3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]-N-[2-(3-fluorophenyl)ethyl]benzamide.
What is the SMILES notation for 3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]-N-[2-(3-fluorophenyl)ethyl]benzamide?
The canonical SMILES for 3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]-N-[2-(3-fluorophenyl)ethyl]benzamide is O=C(NCCc1cccc(F)c1)c1cccc(CN2C(=O)CSC2=O)c1.
What is the InChIKey of 3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]-N-[2-(3-fluorophenyl)ethyl]benzamide?
The InChIKey is KPIZBUCRZIJLIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O3S/c20-16-6-2-3-13(10-16)7-8-21-18(24)15-5-1-4-14(9-15)11-22-17(23)12-26-19(22)25/h1-6,9-10H,7-8,11-12H2,(H,21,24).
What are the key properties of 3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]-N-[2-(3-fluorophenyl)ethyl]benzamide?
3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]-N-[2-(3-fluorophenyl)ethyl]benzamide has a molecular weight of 372.42 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]-N-[2-(3-fluorophenyl)ethyl]benzamide is sourced from PubChem (CID 31401431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).