3-fluoro-N-methyl-N-[2-[2-(2-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]benzamide

C20H21FN2O2S — CID 42814699

IUPAC3-fluoro-N-methyl-N-[2-[2-(2-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]benzamide
SMILESCc1ccccc1C1SCC(=O)N1CCN(C)C(=O)c1cccc(F)c1
InChIInChI=1S/C20H21FN2O2S/c1-14-6-3-4-9-17(14)20-23(18(24)13-26-20)11-10-22(2)19(25)15-7-5-8-16(21)12-15/h3-9,12,20H,10-11,13H2,1-2H3
InChIKeyOPAAKZVVQROPHX-UHFFFAOYSA-N
MW372.47 g/mol
LogP3.48
Rot. Bonds5

About 3-fluoro-N-methyl-N-[2-[2-(2-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]benzamide

3-fluoro-N-methyl-N-[2-[2-(2-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]benzamide (PubChem CID 42814699) has the molecular formula C20H21FN2O2S and a molecular weight of 372.47 g/mol. Its IUPAC name is 3-fluoro-N-methyl-N-[2-[2-(2-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-methyl-N-[2-[2-(2-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]benzamide
PubChem CID42814699
Molecular FormulaC20H21FN2O2S
Molecular Weight372.47 g/mol
Exact Mass372.13
IUPAC Name3-fluoro-N-methyl-N-[2-[2-(2-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]benzamide
SMILESCc1ccccc1C1SCC(=O)N1CCN(C)C(=O)c1cccc(F)c1
InChIInChI=1S/C20H21FN2O2S/c1-14-6-3-4-9-17(14)20-23(18(24)13-26-20)11-10-22(2)19(25)15-7-5-8-16(21)12-15/h3-9,12,20H,10-11,13H2,1-2H3
InChIKeyOPAAKZVVQROPHX-UHFFFAOYSA-N
XLogP3.48
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-N-[2-[2-(2-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-N-propan-2-ylbenzamide
CID 42815602
3-[(4-fluorophenyl)methyl]-2-(2-methylphenyl)-1,3-thiazolidin-4-one
CID 3387425
N-[2-[2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-N-methylcyclobutanecarboxamide
CID 42814526
3-(3-methoxypropyl)-2-(2-methylphenyl)-1,3-thiazolidin-4-one
CID 3849809
2-(2-methylphenyl)-3-[(2,3,4-trifluorophenyl)methyl]-1,3-thiazolidin-4-one
CID 3781993
3-(5-hydroxy-4,4-dimethylpentyl)-2-(2-methylphenyl)-1,3-thiazolidin-4-one
CID 3771055
(2R)-2-(3-fluorophenyl)-3-[2-[(2R)-2-(3-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1,3-thiazolidin-4-one
CID 3066277
2-(2-methylphenyl)-3-(2-piperazin-1-ylethyl)-1,3-thiazolidin-4-one
CID 42795826
N-(2-bromoethyl)-3-fluoro-N-methylbenzamide
CID 80659799
3-fluoro-N-methyl-N-(2-sulfanylethyl)benzamide
CID 154815656
2-[2-chloro-4-(dimethylamino)phenyl]-3-[(3-fluorophenyl)methyl]-1,3-thiazolidin-4-one
CID 4521493
N-[2-(dimethylamino)ethyl]-2-[2-(3-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide
CID 42814850

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-methyl-N-[2-[2-(2-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]benzamide?
The IUPAC name of 3-fluoro-N-methyl-N-[2-[2-(2-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]benzamide (CID 42814699) is 3-fluoro-N-methyl-N-[2-[2-(2-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]benzamide.
What is the SMILES notation for 3-fluoro-N-methyl-N-[2-[2-(2-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]benzamide?
The canonical SMILES for 3-fluoro-N-methyl-N-[2-[2-(2-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]benzamide is Cc1ccccc1C1SCC(=O)N1CCN(C)C(=O)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-methyl-N-[2-[2-(2-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]benzamide?
The InChIKey is OPAAKZVVQROPHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O2S/c1-14-6-3-4-9-17(14)20-23(18(24)13-26-20)11-10-22(2)19(25)15-7-5-8-16(21)12-15/h3-9,12,20H,10-11,13H2,1-2H3.
What are the key properties of 3-fluoro-N-methyl-N-[2-[2-(2-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]benzamide?
3-fluoro-N-methyl-N-[2-[2-(2-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]benzamide has a molecular weight of 372.47 g/mol, XLogP of 3.48, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-methyl-N-[2-[2-(2-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]benzamide is sourced from PubChem (CID 42814699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).