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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Related Compounds

methyl 4-[[2-(2-oxo-1,3-benzothiazol-3-yl)acetyl]amino]benzoate
CID 22423105
2-(2-oxo-1,3-benzothiazol-3-yl)-N-phenylacetamide
CID 705122
4-[[2-(5-chloro-2-oxo-1,3-benzothiazol-3-yl)acetyl]amino]-N-methylsulfonylbenzamide
CID 122181672
2-(6-benzoyl-2-oxo-1,3-benzothiazol-3-yl)acetic acid
CID 14938789
N-(2,4-dichlorophenyl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide
CID 990869
3-benzyl-6-(3-benzyl-2-oxo-1,3-benzothiazole-6-carbonyl)-1,3-benzothiazol-2-one
CID 11027598
N-(3,4-difluorophenyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide
CID 767803
N-(2,4-difluorophenyl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide
CID 1096308
N-(4-chlorophenyl)-2-(2,6-dimethyl-4-oxo-1-pyridinyl)acetamide
CID 108795047
N-(4-acetylphenyl)-2-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-3-yl)acetamide
CID 53080560
N-[(E)-(4-chlorophenyl)methylideneamino]-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide
CID 10712561
N-(5-chloro-2-methoxyphenyl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide
CID 752445

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).