2-chloro-6-fluoro-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide

C15H10ClFN2OS — CID 2086523

IUPAC2-chloro-6-fluoro-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide
SMILESCc1nc2ccc(NC(=O)c3c(F)cccc3Cl)cc2s1
InChIInChI=1S/C15H10ClFN2OS/c1-8-18-12-6-5-9(7-13(12)21-8)19-15(20)14-10(16)3-2-4-11(14)17/h2-7H,1H3,(H,19,20)
InChIKeySOJFRDFBZYRUDB-UHFFFAOYSA-N
MW320.78 g/mol
LogP4.65
Rot. Bonds2

About 2-chloro-6-fluoro-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide

2-chloro-6-fluoro-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide (PubChem CID 2086523) has the molecular formula C15H10ClFN2OS and a molecular weight of 320.78 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide
PubChem CID2086523
Molecular FormulaC15H10ClFN2OS
Molecular Weight320.78 g/mol
Exact Mass320.02
IUPAC Name2-chloro-6-fluoro-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide
SMILESCc1nc2ccc(NC(=O)c3c(F)cccc3Cl)cc2s1
InChIInChI=1S/C15H10ClFN2OS/c1-8-18-12-6-5-9(7-13(12)21-8)19-15(20)14-10(16)3-2-4-11(14)17/h2-7H,1H3,(H,19,20)
InChIKeySOJFRDFBZYRUDB-UHFFFAOYSA-N
XLogP4.65
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.78
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4,5-difluoro-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide
CID 847893
2-chloro-N-(3,4-dichlorophenyl)-6-fluorobenzamide
CID 26085744
3-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide
CID 7915285
2-chloro-6-fluoro-N-(3-hydroxy-4-methylphenyl)benzamide
CID 64793467
2,3,4-trifluoro-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide
CID 30152613
6-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)pyridazine-3-carboxamide
CID 61042126
2-chloro-6-fluoro-N-[3-(methanesulfonamido)-4-methylphenyl]benzamide
CID 2811607
N-(1,3-benzoxazol-6-yl)-2-chloro-6-fluorobenzamide
CID 110728878
2-chloro-6-fluoro-N-pyridin-4-ylbenzamide
CID 25236808
2-chloro-6-fluoro-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide
CID 43952178
2-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)-2-phenylacetamide
CID 43091108
N-(2-methyl-1,3-benzothiazol-6-yl)-4-phenylbenzamide
CID 3386636

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide?
The IUPAC name of 2-chloro-6-fluoro-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide (CID 2086523) is 2-chloro-6-fluoro-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide is Cc1nc2ccc(NC(=O)c3c(F)cccc3Cl)cc2s1.
What is the InChIKey of 2-chloro-6-fluoro-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide?
The InChIKey is SOJFRDFBZYRUDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClFN2OS/c1-8-18-12-6-5-9(7-13(12)21-8)19-15(20)14-10(16)3-2-4-11(14)17/h2-7H,1H3,(H,19,20).
What are the key properties of 2-chloro-6-fluoro-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide?
2-chloro-6-fluoro-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide has a molecular weight of 320.78 g/mol, XLogP of 4.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide is sourced from PubChem (CID 2086523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).