4-chloro-3-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-[2-(trifluoromethyl)phenyl]benzamide

C18H14ClF3N2O4S — CID 46307056

IUPAC4-chloro-3-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-[2-(trifluoromethyl)phenyl]benzamide
SMILESCC1CS(=O)(=O)N(c2cc(C(=O)Nc3ccccc3C(F)(F)F)ccc2Cl)C1=O
InChIInChI=1S/C18H14ClF3N2O4S/c1-10-9-29(27,28)24(17(10)26)15-8-11(6-7-13(15)19)16(25)23-14-5-3-2-4-12(14)18(20,21)22/h2-8,10H,9H2,1H3,(H,23,25)
InChIKeyUBWMUTUGEJVGON-UHFFFAOYSA-N
MW446.83 g/mol
LogP3.92
Rot. Bonds3

About 4-chloro-3-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-[2-(trifluoromethyl)phenyl]benzamide

4-chloro-3-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-[2-(trifluoromethyl)phenyl]benzamide (PubChem CID 46307056) has the molecular formula C18H14ClF3N2O4S and a molecular weight of 446.83 g/mol. Its IUPAC name is 4-chloro-3-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-[2-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-chloro-3-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-[2-(trifluoromethyl)phenyl]benzamide
PubChem CID46307056
Molecular FormulaC18H14ClF3N2O4S
Molecular Weight446.83 g/mol
Exact Mass446.03
IUPAC Name4-chloro-3-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-[2-(trifluoromethyl)phenyl]benzamide
SMILESCC1CS(=O)(=O)N(c2cc(C(=O)Nc3ccccc3C(F)(F)F)ccc2Cl)C1=O
InChIInChI=1S/C18H14ClF3N2O4S/c1-10-9-29(27,28)24(17(10)26)15-8-11(6-7-13(15)19)16(25)23-14-5-3-2-4-12(14)18(20,21)22/h2-8,10H,9H2,1H3,(H,23,25)
InChIKeyUBWMUTUGEJVGON-UHFFFAOYSA-N
XLogP3.92
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.83
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-(2-methoxyphenyl)-3-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 46307045
4-chloro-N-(3,4-dimethylphenyl)-3-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 46307015
N-(2-tert-butylphenyl)-4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide
CID 26824340
N-(3-bromo-4-methylphenyl)-4-chloro-3-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 46307044
4-chloro-N-(2-methyl-4-pyridinyl)-3-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 46307090
4-chloro-N-(1H-indazol-6-yl)-3-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 46307079
N-(2-methoxyphenyl)-3-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide
CID 42348135
N-(4-chloro-2,5-dimethoxyphenyl)-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 21006967
3-chloro-4-methoxy-N-[2-(trifluoromethyl)phenyl]benzamide
CID 886628
4-chloro-3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(2-ethylphenyl)benzamide
CID 42348637
N-(2,3-dimethylphenyl)-3-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide
CID 42347976
4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]-N-(2-propan-2-ylphenyl)benzamide
CID 26824324

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-[2-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 4-chloro-3-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-[2-(trifluoromethyl)phenyl]benzamide (CID 46307056) is 4-chloro-3-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-[2-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 4-chloro-3-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-[2-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 4-chloro-3-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-[2-(trifluoromethyl)phenyl]benzamide is CC1CS(=O)(=O)N(c2cc(C(=O)Nc3ccccc3C(F)(F)F)ccc2Cl)C1=O.
What is the InChIKey of 4-chloro-3-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-[2-(trifluoromethyl)phenyl]benzamide?
The InChIKey is UBWMUTUGEJVGON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClF3N2O4S/c1-10-9-29(27,28)24(17(10)26)15-8-11(6-7-13(15)19)16(25)23-14-5-3-2-4-12(14)18(20,21)22/h2-8,10H,9H2,1H3,(H,23,25).
What are the key properties of 4-chloro-3-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-[2-(trifluoromethyl)phenyl]benzamide?
4-chloro-3-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-[2-(trifluoromethyl)phenyl]benzamide has a molecular weight of 446.83 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-[2-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 46307056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).