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

C19H17FN2O3S — CID 31401261

IUPAC3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]-N-[2-(2-fluorophenyl)ethyl]benzamide
SMILESO=C(NCCc1ccccc1F)c1cccc(CN2C(=O)CSC2=O)c1
InChIInChI=1S/C19H17FN2O3S/c20-16-7-2-1-5-14(16)8-9-21-18(24)15-6-3-4-13(10-15)11-22-17(23)12-26-19(22)25/h1-7,10H,8-9,11-12H2,(H,21,24)
InChIKeyIGLMAPZIQJGYFR-UHFFFAOYSA-N
MW372.42 g/mol
LogP2.99
Rot. Bonds6

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

3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]-N-[2-(2-fluorophenyl)ethyl]benzamide (PubChem CID 31401261) 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-(2-fluorophenyl)ethyl]benzamide.

Molecular Properties

Compound Name3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]-N-[2-(2-fluorophenyl)ethyl]benzamide
PubChem CID31401261
Molecular FormulaC19H17FN2O3S
Molecular Weight372.42 g/mol
Exact Mass372.09
IUPAC Name3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]-N-[2-(2-fluorophenyl)ethyl]benzamide
SMILESO=C(NCCc1ccccc1F)c1cccc(CN2C(=O)CSC2=O)c1
InChIInChI=1S/C19H17FN2O3S/c20-16-7-2-1-5-14(16)8-9-21-18(24)15-6-3-4-13(10-15)11-22-17(23)12-26-19(22)25/h1-7,10H,8-9,11-12H2,(H,21,24)
InChIKeyIGLMAPZIQJGYFR-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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Related Compounds

CID 5494422
CID 5494422
CID 2446878
CID 2446878
CID 4059372
CID 4059372
CID 2883426
CID 2883426
CID 11307701
CID 11307701
CID 11772694
CID 11772694
CID 57890370
CID 57890370
CID 2284259
CID 2284259
CID 2284450
CID 2284450
CID 2555604
CID 2555604
CID 3105132
CID 3105132
CID 3138313
CID 3138313

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]-N-[2-(2-fluorophenyl)ethyl]benzamide?
The IUPAC name of 3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]-N-[2-(2-fluorophenyl)ethyl]benzamide (CID 31401261) is 3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]-N-[2-(2-fluorophenyl)ethyl]benzamide.
What is the SMILES notation for 3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]-N-[2-(2-fluorophenyl)ethyl]benzamide?
The canonical SMILES for 3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]-N-[2-(2-fluorophenyl)ethyl]benzamide is O=C(NCCc1ccccc1F)c1cccc(CN2C(=O)CSC2=O)c1.
What is the InChIKey of 3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]-N-[2-(2-fluorophenyl)ethyl]benzamide?
The InChIKey is IGLMAPZIQJGYFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O3S/c20-16-7-2-1-5-14(16)8-9-21-18(24)15-6-3-4-13(10-15)11-22-17(23)12-26-19(22)25/h1-7,10H,8-9,11-12H2,(H,21,24).
What are the key properties of 3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]-N-[2-(2-fluorophenyl)ethyl]benzamide?
3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]-N-[2-(2-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-(2-fluorophenyl)ethyl]benzamide is sourced from PubChem (CID 31401261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).