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

C17H11Cl2F3N2O4S — CID 21007173

IUPAC2-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
SMILESO=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(N2C(=O)CCS2(=O)=O)cc1Cl
InChIInChI=1S/C17H11Cl2F3N2O4S/c18-13-4-1-9(7-12(13)17(20,21)22)23-16(26)11-3-2-10(8-14(11)19)24-15(25)5-6-29(24,27)28/h1-4,7-8H,5-6H2,(H,23,26)
InChIKeyCFXQQUFZOFEJRE-UHFFFAOYSA-N
MW467.25 g/mol
LogP4.33
Rot. Bonds3

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

2-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide (PubChem CID 21007173) has the molecular formula C17H11Cl2F3N2O4S and a molecular weight of 467.25 g/mol. Its IUPAC name is 2-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide.

Molecular Properties

Compound Name2-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
PubChem CID21007173
Molecular FormulaC17H11Cl2F3N2O4S
Molecular Weight467.25 g/mol
Exact Mass465.98
IUPAC Name2-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
SMILESO=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(N2C(=O)CCS2(=O)=O)cc1Cl
InChIInChI=1S/C17H11Cl2F3N2O4S/c18-13-4-1-9(7-12(13)17(20,21)22)23-16(26)11-3-2-10(8-14(11)19)24-15(25)5-6-29(24,27)28/h1-4,7-8H,5-6H2,(H,23,26)
InChIKeyCFXQQUFZOFEJRE-UHFFFAOYSA-N
XLogP4.33
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.25
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 20996612
2-chloro-N-phenyl-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 20996957
2-chloro-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 21007232
N-(2-tert-butylphenyl)-2-chloro-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 20996979
N-(2-bromophenyl)-2-chloro-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 21007163
2-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-fluorobenzamide
CID 17168217
2-chloro-N-(2-methoxyphenyl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 20996983
2-chloro-N-(2-propan-2-yloxyphenyl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 20996989
N-butyl-2-chloro-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 21007117
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 55433819
2-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 21007177
2-chloro-N-(3-propan-2-yloxypropyl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 21007137

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?
The IUPAC name of 2-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide (CID 21007173) is 2-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide.
What is the SMILES notation for 2-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?
The canonical SMILES for 2-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide is O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(N2C(=O)CCS2(=O)=O)cc1Cl.
What is the InChIKey of 2-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?
The InChIKey is CFXQQUFZOFEJRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl2F3N2O4S/c18-13-4-1-9(7-12(13)17(20,21)22)23-16(26)11-3-2-10(8-14(11)19)24-15(25)5-6-29(24,27)28/h1-4,7-8H,5-6H2,(H,23,26).
What are the key properties of 2-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?
2-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide has a molecular weight of 467.25 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide is sourced from PubChem (CID 21007173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).