2-(4-benzoylphenoxy)-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide

C22H15FN2O3S — CID 2550667

IUPAC2-(4-benzoylphenoxy)-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide
SMILESO=C(COc1ccc(C(=O)c2ccccc2)cc1)Nc1nc2ccc(F)cc2s1
InChIInChI=1S/C22H15FN2O3S/c23-16-8-11-18-19(12-16)29-22(24-18)25-20(26)13-28-17-9-6-15(7-10-17)21(27)14-4-2-1-3-5-14/h1-12H,13H2,(H,24,25,26)
InChIKeyLJASELDKDJLZBO-UHFFFAOYSA-N
MW406.44 g/mol
LogP4.68
Rot. Bonds6

About 2-(4-benzoylphenoxy)-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide

2-(4-benzoylphenoxy)-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide (PubChem CID 2550667) has the molecular formula C22H15FN2O3S and a molecular weight of 406.44 g/mol. Its IUPAC name is 2-(4-benzoylphenoxy)-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-benzoylphenoxy)-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide
PubChem CID2550667
Molecular FormulaC22H15FN2O3S
Molecular Weight406.44 g/mol
Exact Mass406.08
IUPAC Name2-(4-benzoylphenoxy)-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide
SMILESO=C(COc1ccc(C(=O)c2ccccc2)cc1)Nc1nc2ccc(F)cc2s1
InChIInChI=1S/C22H15FN2O3S/c23-16-8-11-18-19(12-16)29-22(24-18)25-20(26)13-28-17-9-6-15(7-10-17)21(27)14-4-2-1-3-5-14/h1-12H,13H2,(H,24,25,26)
InChIKeyLJASELDKDJLZBO-UHFFFAOYSA-N
XLogP4.68
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-fluoro-1,3-benzothiazol-2-yl)-2-phenoxyacetamide
CID 953564
2-(4-fluorophenoxy)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 16547554
2-(2-cyanophenoxy)-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide
CID 7733369
N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(2-oxochromen-7-yl)oxyacetamide
CID 35999133
2-(2-fluorophenoxy)-N-(6-phenoxy-1,3-benzothiazol-2-yl)acetamide
CID 7948442
N-(6-methyl-1,3-benzothiazol-2-yl)-2-(4-propanoylphenoxy)acetamide
CID 7919939
N-[6-[[2-(4-chlorophenoxy)acetyl]amino]-1,3-benzothiazol-2-yl]benzamide
CID 46290875
N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 2430791
2-(4-ethylphenoxy)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 2484391
4-benzoyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 2332417
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(3-phenoxyphenoxy)acetamide
CID 2347857
butyl 2-[[2-(4-ethylphenoxy)acetyl]amino]-1,3-benzothiazole-6-carboxylate
CID 17127846

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzoylphenoxy)-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of 2-(4-benzoylphenoxy)-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide (CID 2550667) is 2-(4-benzoylphenoxy)-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4-benzoylphenoxy)-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for 2-(4-benzoylphenoxy)-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide is O=C(COc1ccc(C(=O)c2ccccc2)cc1)Nc1nc2ccc(F)cc2s1.
What is the InChIKey of 2-(4-benzoylphenoxy)-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is LJASELDKDJLZBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15FN2O3S/c23-16-8-11-18-19(12-16)29-22(24-18)25-20(26)13-28-17-9-6-15(7-10-17)21(27)14-4-2-1-3-5-14/h1-12H,13H2,(H,24,25,26).
What are the key properties of 2-(4-benzoylphenoxy)-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide?
2-(4-benzoylphenoxy)-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 406.44 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzoylphenoxy)-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 2550667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).