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

C17H14ClF3N2O3S — CID 55433819

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
SMILESO=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(N2CCCS2(=O)=O)cc1
InChIInChI=1S/C17H14ClF3N2O3S/c18-15-7-4-12(10-14(15)17(19,20)21)22-16(24)11-2-5-13(6-3-11)23-8-1-9-27(23,25)26/h2-7,10H,1,8-9H2,(H,22,24)
InChIKeyAEGLOMUEEITGIQ-UHFFFAOYSA-N
MW418.82 g/mol
LogP4.15
Rot. Bonds3

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

N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide (PubChem CID 55433819) has the molecular formula C17H14ClF3N2O3S and a molecular weight of 418.82 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
PubChem CID55433819
Molecular FormulaC17H14ClF3N2O3S
Molecular Weight418.82 g/mol
Exact Mass418.04
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
SMILESO=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(N2CCCS2(=O)=O)cc1
InChIInChI=1S/C17H14ClF3N2O3S/c18-15-7-4-12(10-14(15)17(19,20)21)22-16(24)11-2-5-13(6-3-11)23-8-1-9-27(23,25)26/h2-7,10H,1,8-9H2,(H,22,24)
InChIKeyAEGLOMUEEITGIQ-UHFFFAOYSA-N
XLogP4.15
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.82
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-fluorophenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 51246208
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 20996612
4-benzamido-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzamide
CID 55535899
N-(3,4-difluorophenyl)-4-(1,1-dioxothiazinan-2-yl)benzamide
CID 7685666
N-(4-chloro-3-pyridin-2-ylphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 90130539
N-[4-chloro-3-(4-methyl-2-pyridinyl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 118462952
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-methylbenzamide
CID 7627515
2,5-dichloro-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzamide
CID 7482807
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-piperidin-1-ylbenzamide
CID 46979712
4-(azepan-1-ylmethyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]benzamide
CID 43922202
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(4-fluoro-3-nitrophenyl)benzamide
CID 134059983
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-iodobenzamide
CID 1221652

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide (CID 55433819) is N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide is O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(N2CCCS2(=O)=O)cc1.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide?
The InChIKey is AEGLOMUEEITGIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClF3N2O3S/c18-15-7-4-12(10-14(15)17(19,20)21)22-16(24)11-2-5-13(6-3-11)23-8-1-9-27(23,25)26/h2-7,10H,1,8-9H2,(H,22,24).
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide has a molecular weight of 418.82 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide is sourced from PubChem (CID 55433819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).