N-benzyl-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-phenylacetamide

C22H17FN2OS — CID 41109949

IUPACN-benzyl-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-phenylacetamide
SMILESO=C(Cc1ccccc1)N(Cc1ccccc1)c1nc2c(F)cccc2s1
InChIInChI=1S/C22H17FN2OS/c23-18-12-7-13-19-21(18)24-22(27-19)25(15-17-10-5-2-6-11-17)20(26)14-16-8-3-1-4-9-16/h1-13H,14-15H2
InChIKeyUYWNJUDSEXLGNN-UHFFFAOYSA-N
MW376.46 g/mol
LogP5.21
Rot. Bonds5

About N-benzyl-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-phenylacetamide

N-benzyl-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-phenylacetamide (PubChem CID 41109949) has the molecular formula C22H17FN2OS and a molecular weight of 376.46 g/mol. Its IUPAC name is N-benzyl-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-phenylacetamide.

Molecular Properties

Compound NameN-benzyl-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-phenylacetamide
PubChem CID41109949
Molecular FormulaC22H17FN2OS
Molecular Weight376.46 g/mol
Exact Mass376.10
IUPAC NameN-benzyl-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-phenylacetamide
SMILESO=C(Cc1ccccc1)N(Cc1ccccc1)c1nc2c(F)cccc2s1
InChIInChI=1S/C22H17FN2OS/c23-18-12-7-13-19-21(18)24-22(27-19)25(15-17-10-5-2-6-11-17)20(26)14-16-8-3-1-4-9-16/h1-13H,14-15H2
InChIKeyUYWNJUDSEXLGNN-UHFFFAOYSA-N
XLogP5.21
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.46
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylphenyl)acetamide
CID 43990111
N-benzyl-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-(4-methoxy-3-methylphenyl)acetamide
CID 16848558
N-benzyl-2-(4-chlorophenoxy)-N-(4-fluoro-1,3-benzothiazol-2-yl)acetamide
CID 41109919
N-(4-fluoro-1,3-benzothiazol-2-yl)-2-naphthalen-1-yl-N-(pyridin-3-ylmethyl)acetamide
CID 16821548
N-benzyl-N-(4-fluoro-1,3-benzothiazol-2-yl)-4-nitrobenzamide
CID 8670812
N-benzyl-N-(4-ethyl-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylphenyl)acetamide
CID 43990108
N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)-2-phenylacetamide
CID 16824153
N-benzyl-N-(4-ethyl-1,3-benzothiazol-2-yl)-2-(4-ethylsulfonylphenyl)acetamide
CID 41146462
N-benzyl-N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)acetamide
CID 41116032
N-benzyl-N-(4-fluoro-1,3-benzothiazol-2-yl)-4-oxochromene-2-carboxamide
CID 41109920
N-benzyl-3-ethylsulfonyl-N-(4-fluoro-1,3-benzothiazol-2-yl)benzamide
CID 41109971
N-[2-(dimethylamino)ethyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)acetamide
CID 8718729

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-phenylacetamide?
The IUPAC name of N-benzyl-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-phenylacetamide (CID 41109949) is N-benzyl-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-phenylacetamide.
What is the SMILES notation for N-benzyl-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-phenylacetamide?
The canonical SMILES for N-benzyl-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-phenylacetamide is O=C(Cc1ccccc1)N(Cc1ccccc1)c1nc2c(F)cccc2s1.
What is the InChIKey of N-benzyl-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-phenylacetamide?
The InChIKey is UYWNJUDSEXLGNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN2OS/c23-18-12-7-13-19-21(18)24-22(27-19)25(15-17-10-5-2-6-11-17)20(26)14-16-8-3-1-4-9-16/h1-13H,14-15H2.
What are the key properties of N-benzyl-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-phenylacetamide?
N-benzyl-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-phenylacetamide has a molecular weight of 376.46 g/mol, XLogP of 5.21, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-phenylacetamide is sourced from PubChem (CID 41109949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).