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

C15H10ClFN2O2S — CID 5301512

IUPACN-(4-chlorophenyl)-2-(6-fluoro-3-oxo-1,2-benzothiazol-2-yl)acetamide
SMILESO=C(Cn1sc2cc(F)ccc2c1=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C15H10ClFN2O2S/c16-9-1-4-11(5-2-9)18-14(20)8-19-15(21)12-6-3-10(17)7-13(12)22-19/h1-7H,8H2,(H,18,20)
InChIKeyFEBVAUSHDQINRQ-UHFFFAOYSA-N
MW336.78 g/mol
LogP3.49
Rot. Bonds3

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

N-(4-chlorophenyl)-2-(6-fluoro-3-oxo-1,2-benzothiazol-2-yl)acetamide (PubChem CID 5301512) has the molecular formula C15H10ClFN2O2S and a molecular weight of 336.78 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-(6-fluoro-3-oxo-1,2-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-(6-fluoro-3-oxo-1,2-benzothiazol-2-yl)acetamide
PubChem CID5301512
Molecular FormulaC15H10ClFN2O2S
Molecular Weight336.78 g/mol
Exact Mass336.01
IUPAC NameN-(4-chlorophenyl)-2-(6-fluoro-3-oxo-1,2-benzothiazol-2-yl)acetamide
SMILESO=C(Cn1sc2cc(F)ccc2c1=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C15H10ClFN2O2S/c16-9-1-4-11(5-2-9)18-14(20)8-19-15(21)12-6-3-10(17)7-13(12)22-19/h1-7H,8H2,(H,18,20)
InChIKeyFEBVAUSHDQINRQ-UHFFFAOYSA-N
XLogP3.49
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.78
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-(6-fluoro-3-oxo-1,2-benzothiazol-2-yl)acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-(6-fluoro-3-oxo-1,2-benzothiazol-2-yl)acetamide (CID 5301512) is N-(4-chlorophenyl)-2-(6-fluoro-3-oxo-1,2-benzothiazol-2-yl)acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-(6-fluoro-3-oxo-1,2-benzothiazol-2-yl)acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-(6-fluoro-3-oxo-1,2-benzothiazol-2-yl)acetamide is O=C(Cn1sc2cc(F)ccc2c1=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-(6-fluoro-3-oxo-1,2-benzothiazol-2-yl)acetamide?
The InChIKey is FEBVAUSHDQINRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClFN2O2S/c16-9-1-4-11(5-2-9)18-14(20)8-19-15(21)12-6-3-10(17)7-13(12)22-19/h1-7H,8H2,(H,18,20).
What are the key properties of N-(4-chlorophenyl)-2-(6-fluoro-3-oxo-1,2-benzothiazol-2-yl)acetamide?
N-(4-chlorophenyl)-2-(6-fluoro-3-oxo-1,2-benzothiazol-2-yl)acetamide has a molecular weight of 336.78 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-(6-fluoro-3-oxo-1,2-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 5301512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).