2-chloro-N-(4-fluoro-1,3-benzothiazol-2-yl)benzamide

C14H8ClFN2OS — CID 7193186

IUPAC2-chloro-N-(4-fluoro-1,3-benzothiazol-2-yl)benzamide
SMILESO=C(Nc1nc2c(F)cccc2s1)c1ccccc1Cl
InChIInChI=1S/C14H8ClFN2OS/c15-9-5-2-1-4-8(9)13(19)18-14-17-12-10(16)6-3-7-11(12)20-14/h1-7H,(H,17,18,19)
InChIKeyVVLGADYBLLADFT-UHFFFAOYSA-N
MW306.75 g/mol
LogP4.34
Rot. Bonds2

About 2-chloro-N-(4-fluoro-1,3-benzothiazol-2-yl)benzamide

2-chloro-N-(4-fluoro-1,3-benzothiazol-2-yl)benzamide (PubChem CID 7193186) has the molecular formula C14H8ClFN2OS and a molecular weight of 306.75 g/mol. Its IUPAC name is 2-chloro-N-(4-fluoro-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(4-fluoro-1,3-benzothiazol-2-yl)benzamide
PubChem CID7193186
Molecular FormulaC14H8ClFN2OS
Molecular Weight306.75 g/mol
Exact Mass306.00
IUPAC Name2-chloro-N-(4-fluoro-1,3-benzothiazol-2-yl)benzamide
SMILESO=C(Nc1nc2c(F)cccc2s1)c1ccccc1Cl
InChIInChI=1S/C14H8ClFN2OS/c15-9-5-2-1-4-8(9)13(19)18-14-17-12-10(16)6-3-7-11(12)20-14/h1-7H,(H,17,18,19)
InChIKeyVVLGADYBLLADFT-UHFFFAOYSA-N
XLogP4.34
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluoro-1,3-benzothiazol-2-yl)-2-iodobenzamide
CID 7193259
N-(4-bromo-1,3-benzothiazol-2-yl)-2-chlorobenzamide
CID 7202712
2-chloro-N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 7192536
2-chloro-N-(4-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 5185443
N-(4-fluoro-1,3-benzothiazol-2-yl)-2-methoxypyridine-3-carboxamide
CID 134709205
N-(4-butan-2-yl-1,3-benzothiazol-2-yl)-2-chlorobenzamide
CID 177195106
N-(4-chloro-1,3-benzothiazol-2-yl)-4-cyano-2-fluorobenzamide
CID 953858
1-benzhydryl-3-(4-fluoro-1,3-benzothiazol-2-yl)urea
CID 121082406
N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-fluorobenzamide
CID 867640
N-(4-fluoro-1,3-benzothiazol-2-yl)-2,4-dimethoxybenzamide
CID 7193198
5-(difluoromethyl)-N-(4-fluoro-1,3-benzothiazol-2-yl)-1H-pyrazole-3-carboxamide
CID 134711901
N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-fluorobenzamide
CID 735318

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-fluoro-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of 2-chloro-N-(4-fluoro-1,3-benzothiazol-2-yl)benzamide (CID 7193186) is 2-chloro-N-(4-fluoro-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for 2-chloro-N-(4-fluoro-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for 2-chloro-N-(4-fluoro-1,3-benzothiazol-2-yl)benzamide is O=C(Nc1nc2c(F)cccc2s1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-(4-fluoro-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is VVLGADYBLLADFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClFN2OS/c15-9-5-2-1-4-8(9)13(19)18-14-17-12-10(16)6-3-7-11(12)20-14/h1-7H,(H,17,18,19).
What are the key properties of 2-chloro-N-(4-fluoro-1,3-benzothiazol-2-yl)benzamide?
2-chloro-N-(4-fluoro-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 306.75 g/mol, XLogP of 4.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-fluoro-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 7193186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).