N-(4,5-dichloro-1,3-benzothiazol-2-yl)-2-(4-fluorophenoxy)acetamide

C15H9Cl2FN2O2S — CID 43988757

IUPACN-(4,5-dichloro-1,3-benzothiazol-2-yl)-2-(4-fluorophenoxy)acetamide
SMILESO=C(COc1ccc(F)cc1)Nc1nc2c(Cl)c(Cl)ccc2s1
InChIInChI=1S/C15H9Cl2FN2O2S/c16-10-5-6-11-14(13(10)17)20-15(23-11)19-12(21)7-22-9-3-1-8(18)2-4-9/h1-6H,7H2,(H,19,20,21)
InChIKeyLZYNQFXRIFICPC-UHFFFAOYSA-N
MW371.22 g/mol
LogP4.76
Rot. Bonds4

About N-(4,5-dichloro-1,3-benzothiazol-2-yl)-2-(4-fluorophenoxy)acetamide

N-(4,5-dichloro-1,3-benzothiazol-2-yl)-2-(4-fluorophenoxy)acetamide (PubChem CID 43988757) has the molecular formula C15H9Cl2FN2O2S and a molecular weight of 371.22 g/mol. Its IUPAC name is N-(4,5-dichloro-1,3-benzothiazol-2-yl)-2-(4-fluorophenoxy)acetamide.

Molecular Properties

Compound NameN-(4,5-dichloro-1,3-benzothiazol-2-yl)-2-(4-fluorophenoxy)acetamide
PubChem CID43988757
Molecular FormulaC15H9Cl2FN2O2S
Molecular Weight371.22 g/mol
Exact Mass369.97
IUPAC NameN-(4,5-dichloro-1,3-benzothiazol-2-yl)-2-(4-fluorophenoxy)acetamide
SMILESO=C(COc1ccc(F)cc1)Nc1nc2c(Cl)c(Cl)ccc2s1
InChIInChI=1S/C15H9Cl2FN2O2S/c16-10-5-6-11-14(13(10)17)20-15(23-11)19-12(21)7-22-9-3-1-8(18)2-4-9/h1-6H,7H2,(H,19,20,21)
InChIKeyLZYNQFXRIFICPC-UHFFFAOYSA-N
XLogP4.76
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.22
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(4-methylphenoxy)acetamide
CID 43988809
N-[(4,5-dichloro-1,3-benzothiazol-2-yl)carbamothioyl]-2-phenoxyacetamide
CID 3417887
N-(4,5-dichloro-1,3-benzothiazol-2-yl)-3-phenoxypropanamide
CID 7192820
4-butoxy-N-(4,5-dichloro-1,3-benzothiazol-2-yl)benzamide
CID 40605559
2-(4-fluorophenoxy)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 16547554
2-(4-chloro-3-methylphenoxy)-N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 19217431
N-(4,5-dichloro-1,3-benzothiazol-2-yl)-2-naphthalen-2-ylacetamide
CID 16849433
N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-2-phenoxyacetamide
CID 7615226
N-(6-fluoro-1,3-benzothiazol-2-yl)-2-phenoxyacetamide
CID 953564
N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-(4-ethylphenoxy)acetamide
CID 19210112
N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-(4-methoxyphenoxy)acetamide
CID 19214374
N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-3-(4-fluorophenyl)sulfonylpropanamide
CID 7254392

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dichloro-1,3-benzothiazol-2-yl)-2-(4-fluorophenoxy)acetamide?
The IUPAC name of N-(4,5-dichloro-1,3-benzothiazol-2-yl)-2-(4-fluorophenoxy)acetamide (CID 43988757) is N-(4,5-dichloro-1,3-benzothiazol-2-yl)-2-(4-fluorophenoxy)acetamide.
What is the SMILES notation for N-(4,5-dichloro-1,3-benzothiazol-2-yl)-2-(4-fluorophenoxy)acetamide?
The canonical SMILES for N-(4,5-dichloro-1,3-benzothiazol-2-yl)-2-(4-fluorophenoxy)acetamide is O=C(COc1ccc(F)cc1)Nc1nc2c(Cl)c(Cl)ccc2s1.
What is the InChIKey of N-(4,5-dichloro-1,3-benzothiazol-2-yl)-2-(4-fluorophenoxy)acetamide?
The InChIKey is LZYNQFXRIFICPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2FN2O2S/c16-10-5-6-11-14(13(10)17)20-15(23-11)19-12(21)7-22-9-3-1-8(18)2-4-9/h1-6H,7H2,(H,19,20,21).
What are the key properties of N-(4,5-dichloro-1,3-benzothiazol-2-yl)-2-(4-fluorophenoxy)acetamide?
N-(4,5-dichloro-1,3-benzothiazol-2-yl)-2-(4-fluorophenoxy)acetamide has a molecular weight of 371.22 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dichloro-1,3-benzothiazol-2-yl)-2-(4-fluorophenoxy)acetamide is sourced from PubChem (CID 43988757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).