3-chloro-4-fluoro-N-[7-(trifluoromethyl)-1,3-benzothiazol-2-yl]benzamide

C15H7ClF4N2OS — CID 141404474

IUPAC3-chloro-4-fluoro-N-[7-(trifluoromethyl)-1,3-benzothiazol-2-yl]benzamide
SMILESO=C(Nc1nc2cccc(C(F)(F)F)c2s1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C15H7ClF4N2OS/c16-9-6-7(4-5-10(9)17)13(23)22-14-21-11-3-1-2-8(12(11)24-14)15(18,19)20/h1-6H,(H,21,22,23)
InChIKeyASQOPNCAINARMG-UHFFFAOYSA-N
MW374.75 g/mol
LogP5.36
Rot. Bonds2

About 3-chloro-4-fluoro-N-[7-(trifluoromethyl)-1,3-benzothiazol-2-yl]benzamide

3-chloro-4-fluoro-N-[7-(trifluoromethyl)-1,3-benzothiazol-2-yl]benzamide (PubChem CID 141404474) has the molecular formula C15H7ClF4N2OS and a molecular weight of 374.75 g/mol. Its IUPAC name is 3-chloro-4-fluoro-N-[7-(trifluoromethyl)-1,3-benzothiazol-2-yl]benzamide.

Molecular Properties

Compound Name3-chloro-4-fluoro-N-[7-(trifluoromethyl)-1,3-benzothiazol-2-yl]benzamide
PubChem CID141404474
Molecular FormulaC15H7ClF4N2OS
Molecular Weight374.75 g/mol
Exact Mass373.99
IUPAC Name3-chloro-4-fluoro-N-[7-(trifluoromethyl)-1,3-benzothiazol-2-yl]benzamide
SMILESO=C(Nc1nc2cccc(C(F)(F)F)c2s1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C15H7ClF4N2OS/c16-9-6-7(4-5-10(9)17)13(23)22-14-21-11-3-1-2-8(12(11)24-14)15(18,19)20/h1-6H,(H,21,22,23)
InChIKeyASQOPNCAINARMG-UHFFFAOYSA-N
XLogP5.36
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.75
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)-3-(trifluoromethyl)benzamide
CID 90606264
N-(5,6,7-trifluoro-1,3-benzothiazol-2-yl)-3-(trifluoromethyl)benzamide
CID 89461680
N-(7-fluoro-6-methyl-1,3-benzothiazol-2-yl)-3-(trifluoromethyl)benzamide
CID 89461424
3-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-fluorobenzamide
CID 141404414
N-(6-chloro-1,3-benzothiazol-2-yl)-4-fluoro-3-sulfanylbenzamide
CID 107020053
N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]-2,1,3-benzothiadiazole-5-carboxamide
CID 121028811
3-amino-N-(6-chloro-1,3-benzothiazol-2-yl)-4-fluorobenzamide
CID 43436936
N-([1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)-3-(trifluoromethyl)benzamide
CID 90606188
3,4-dichloro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 1077804
4-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)benzamide
CID 739315
N-(3-acetamidophenyl)-3-chloro-4-fluorobenzamide
CID 110764762
3-chloro-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-4-methylbenzamide
CID 17100933

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-fluoro-N-[7-(trifluoromethyl)-1,3-benzothiazol-2-yl]benzamide?
The IUPAC name of 3-chloro-4-fluoro-N-[7-(trifluoromethyl)-1,3-benzothiazol-2-yl]benzamide (CID 141404474) is 3-chloro-4-fluoro-N-[7-(trifluoromethyl)-1,3-benzothiazol-2-yl]benzamide.
What is the SMILES notation for 3-chloro-4-fluoro-N-[7-(trifluoromethyl)-1,3-benzothiazol-2-yl]benzamide?
The canonical SMILES for 3-chloro-4-fluoro-N-[7-(trifluoromethyl)-1,3-benzothiazol-2-yl]benzamide is O=C(Nc1nc2cccc(C(F)(F)F)c2s1)c1ccc(F)c(Cl)c1.
What is the InChIKey of 3-chloro-4-fluoro-N-[7-(trifluoromethyl)-1,3-benzothiazol-2-yl]benzamide?
The InChIKey is ASQOPNCAINARMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7ClF4N2OS/c16-9-6-7(4-5-10(9)17)13(23)22-14-21-11-3-1-2-8(12(11)24-14)15(18,19)20/h1-6H,(H,21,22,23).
What are the key properties of 3-chloro-4-fluoro-N-[7-(trifluoromethyl)-1,3-benzothiazol-2-yl]benzamide?
3-chloro-4-fluoro-N-[7-(trifluoromethyl)-1,3-benzothiazol-2-yl]benzamide has a molecular weight of 374.75 g/mol, XLogP of 5.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-fluoro-N-[7-(trifluoromethyl)-1,3-benzothiazol-2-yl]benzamide is sourced from PubChem (CID 141404474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).