N-(4-chlorophenyl)-2-[6-(2-fluorobenzoyl)-2-oxo-1,3-benzothiazol-3-yl]acetamide

C22H14ClFN2O3S — CID 16656682

IUPACN-(4-chlorophenyl)-2-[6-(2-fluorobenzoyl)-2-oxo-1,3-benzothiazol-3-yl]acetamide
SMILESO=C(Cn1c(=O)sc2cc(C(=O)c3ccccc3F)ccc21)Nc1ccc(Cl)cc1
InChIInChI=1S/C22H14ClFN2O3S/c23-14-6-8-15(9-7-14)25-20(27)12-26-18-10-5-13(11-19(18)30-22(26)29)21(28)16-3-1-2-4-17(16)24/h1-11H,12H2,(H,25,27)
InChIKeyLUOQTSBNJDAIHN-UHFFFAOYSA-N
MW440.88 g/mol
LogP4.73
Rot. Bonds5

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

N-(4-chlorophenyl)-2-[6-(2-fluorobenzoyl)-2-oxo-1,3-benzothiazol-3-yl]acetamide (PubChem CID 16656682) has the molecular formula C22H14ClFN2O3S and a molecular weight of 440.88 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[6-(2-fluorobenzoyl)-2-oxo-1,3-benzothiazol-3-yl]acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[6-(2-fluorobenzoyl)-2-oxo-1,3-benzothiazol-3-yl]acetamide
PubChem CID16656682
Molecular FormulaC22H14ClFN2O3S
Molecular Weight440.88 g/mol
Exact Mass440.04
IUPAC NameN-(4-chlorophenyl)-2-[6-(2-fluorobenzoyl)-2-oxo-1,3-benzothiazol-3-yl]acetamide
SMILESO=C(Cn1c(=O)sc2cc(C(=O)c3ccccc3F)ccc21)Nc1ccc(Cl)cc1
InChIInChI=1S/C22H14ClFN2O3S/c23-14-6-8-15(9-7-14)25-20(27)12-26-18-10-5-13(11-19(18)30-22(26)29)21(28)16-3-1-2-4-17(16)24/h1-11H,12H2,(H,25,27)
InChIKeyLUOQTSBNJDAIHN-UHFFFAOYSA-N
XLogP4.73
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.88
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[6-(2-fluorobenzoyl)-2-oxo-1,3-benzothiazol-3-yl]acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[6-(2-fluorobenzoyl)-2-oxo-1,3-benzothiazol-3-yl]acetamide (CID 16656682) is N-(4-chlorophenyl)-2-[6-(2-fluorobenzoyl)-2-oxo-1,3-benzothiazol-3-yl]acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[6-(2-fluorobenzoyl)-2-oxo-1,3-benzothiazol-3-yl]acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[6-(2-fluorobenzoyl)-2-oxo-1,3-benzothiazol-3-yl]acetamide is O=C(Cn1c(=O)sc2cc(C(=O)c3ccccc3F)ccc21)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-[6-(2-fluorobenzoyl)-2-oxo-1,3-benzothiazol-3-yl]acetamide?
The InChIKey is LUOQTSBNJDAIHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14ClFN2O3S/c23-14-6-8-15(9-7-14)25-20(27)12-26-18-10-5-13(11-19(18)30-22(26)29)21(28)16-3-1-2-4-17(16)24/h1-11H,12H2,(H,25,27).
What are the key properties of N-(4-chlorophenyl)-2-[6-(2-fluorobenzoyl)-2-oxo-1,3-benzothiazol-3-yl]acetamide?
N-(4-chlorophenyl)-2-[6-(2-fluorobenzoyl)-2-oxo-1,3-benzothiazol-3-yl]acetamide has a molecular weight of 440.88 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[6-(2-fluorobenzoyl)-2-oxo-1,3-benzothiazol-3-yl]acetamide is sourced from PubChem (CID 16656682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).