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

C16H13FN2O2S — CID 5301519

IUPACN-benzyl-2-(6-fluoro-3-oxo-1,2-benzothiazol-2-yl)acetamide
SMILESO=C(Cn1sc2cc(F)ccc2c1=O)NCc1ccccc1
InChIInChI=1S/C16H13FN2O2S/c17-12-6-7-13-14(8-12)22-19(16(13)21)10-15(20)18-9-11-4-2-1-3-5-11/h1-8H,9-10H2,(H,18,20)
InChIKeyALHOCOQCEODTIF-UHFFFAOYSA-N
MW316.36 g/mol
LogP2.52
Rot. Bonds4

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

N-benzyl-2-(6-fluoro-3-oxo-1,2-benzothiazol-2-yl)acetamide (PubChem CID 5301519) has the molecular formula C16H13FN2O2S and a molecular weight of 316.36 g/mol. Its IUPAC name is N-benzyl-2-(6-fluoro-3-oxo-1,2-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-(6-fluoro-3-oxo-1,2-benzothiazol-2-yl)acetamide
PubChem CID5301519
Molecular FormulaC16H13FN2O2S
Molecular Weight316.36 g/mol
Exact Mass316.07
IUPAC NameN-benzyl-2-(6-fluoro-3-oxo-1,2-benzothiazol-2-yl)acetamide
SMILESO=C(Cn1sc2cc(F)ccc2c1=O)NCc1ccccc1
InChIInChI=1S/C16H13FN2O2S/c17-12-6-7-13-14(8-12)22-19(16(13)21)10-15(20)18-9-11-4-2-1-3-5-11/h1-8H,9-10H2,(H,18,20)
InChIKeyALHOCOQCEODTIF-UHFFFAOYSA-N
XLogP2.52
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(6-fluoro-3-oxo-1,2-benzothiazol-2-yl)acetamide?
The IUPAC name of N-benzyl-2-(6-fluoro-3-oxo-1,2-benzothiazol-2-yl)acetamide (CID 5301519) is N-benzyl-2-(6-fluoro-3-oxo-1,2-benzothiazol-2-yl)acetamide.
What is the SMILES notation for N-benzyl-2-(6-fluoro-3-oxo-1,2-benzothiazol-2-yl)acetamide?
The canonical SMILES for N-benzyl-2-(6-fluoro-3-oxo-1,2-benzothiazol-2-yl)acetamide is O=C(Cn1sc2cc(F)ccc2c1=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-(6-fluoro-3-oxo-1,2-benzothiazol-2-yl)acetamide?
The InChIKey is ALHOCOQCEODTIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O2S/c17-12-6-7-13-14(8-12)22-19(16(13)21)10-15(20)18-9-11-4-2-1-3-5-11/h1-8H,9-10H2,(H,18,20).
What are the key properties of N-benzyl-2-(6-fluoro-3-oxo-1,2-benzothiazol-2-yl)acetamide?
N-benzyl-2-(6-fluoro-3-oxo-1,2-benzothiazol-2-yl)acetamide has a molecular weight of 316.36 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(6-fluoro-3-oxo-1,2-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 5301519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).