N-(3,5-dichlorophenyl)-2-(6-fluoro-3-oxo-1,2-benzothiazol-2-yl)acetamide

C15H9Cl2FN2O2S — CID 5304232

IUPACN-(3,5-dichlorophenyl)-2-(6-fluoro-3-oxo-1,2-benzothiazol-2-yl)acetamide
SMILESO=C(Cn1sc2cc(F)ccc2c1=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C15H9Cl2FN2O2S/c16-8-3-9(17)5-11(4-8)19-14(21)7-20-15(22)12-2-1-10(18)6-13(12)23-20/h1-6H,7H2,(H,19,21)
InChIKeyQADZKHDKMWRSJX-UHFFFAOYSA-N
MW371.22 g/mol
LogP4.15
Rot. Bonds3

About N-(3,5-dichlorophenyl)-2-(6-fluoro-3-oxo-1,2-benzothiazol-2-yl)acetamide

N-(3,5-dichlorophenyl)-2-(6-fluoro-3-oxo-1,2-benzothiazol-2-yl)acetamide (PubChem CID 5304232) has the molecular formula C15H9Cl2FN2O2S and a molecular weight of 371.22 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-2-(6-fluoro-3-oxo-1,2-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-2-(6-fluoro-3-oxo-1,2-benzothiazol-2-yl)acetamide
PubChem CID5304232
Molecular FormulaC15H9Cl2FN2O2S
Molecular Weight371.22 g/mol
Exact Mass369.97
IUPAC NameN-(3,5-dichlorophenyl)-2-(6-fluoro-3-oxo-1,2-benzothiazol-2-yl)acetamide
SMILESO=C(Cn1sc2cc(F)ccc2c1=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C15H9Cl2FN2O2S/c16-8-3-9(17)5-11(4-8)19-14(21)7-20-15(22)12-2-1-10(18)6-13(12)23-20/h1-6H,7H2,(H,19,21)
InChIKeyQADZKHDKMWRSJX-UHFFFAOYSA-N
XLogP4.15
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.22
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-2-(6-fluoro-3-oxo-1,2-benzothiazol-2-yl)acetamide?
The IUPAC name of N-(3,5-dichlorophenyl)-2-(6-fluoro-3-oxo-1,2-benzothiazol-2-yl)acetamide (CID 5304232) is N-(3,5-dichlorophenyl)-2-(6-fluoro-3-oxo-1,2-benzothiazol-2-yl)acetamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-2-(6-fluoro-3-oxo-1,2-benzothiazol-2-yl)acetamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-2-(6-fluoro-3-oxo-1,2-benzothiazol-2-yl)acetamide is O=C(Cn1sc2cc(F)ccc2c1=O)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of N-(3,5-dichlorophenyl)-2-(6-fluoro-3-oxo-1,2-benzothiazol-2-yl)acetamide?
The InChIKey is QADZKHDKMWRSJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2FN2O2S/c16-8-3-9(17)5-11(4-8)19-14(21)7-20-15(22)12-2-1-10(18)6-13(12)23-20/h1-6H,7H2,(H,19,21).
What are the key properties of N-(3,5-dichlorophenyl)-2-(6-fluoro-3-oxo-1,2-benzothiazol-2-yl)acetamide?
N-(3,5-dichlorophenyl)-2-(6-fluoro-3-oxo-1,2-benzothiazol-2-yl)acetamide has a molecular weight of 371.22 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-2-(6-fluoro-3-oxo-1,2-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 5304232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).