N-(4-bromo-1,3-benzothiazol-2-yl)-2-chlorobenzamide

C14H8BrClN2OS — CID 7202712

IUPACN-(4-bromo-1,3-benzothiazol-2-yl)-2-chlorobenzamide
SMILESO=C(Nc1nc2c(Br)cccc2s1)c1ccccc1Cl
InChIInChI=1S/C14H8BrClN2OS/c15-9-5-3-7-11-12(9)17-14(20-11)18-13(19)8-4-1-2-6-10(8)16/h1-7H,(H,17,18,19)
InChIKeyLVWLUNCRMVDBKQ-UHFFFAOYSA-N
MW367.66 g/mol
LogP4.96
Rot. Bonds2

About N-(4-bromo-1,3-benzothiazol-2-yl)-2-chlorobenzamide

N-(4-bromo-1,3-benzothiazol-2-yl)-2-chlorobenzamide (PubChem CID 7202712) has the molecular formula C14H8BrClN2OS and a molecular weight of 367.66 g/mol. Its IUPAC name is N-(4-bromo-1,3-benzothiazol-2-yl)-2-chlorobenzamide.

Molecular Properties

Compound NameN-(4-bromo-1,3-benzothiazol-2-yl)-2-chlorobenzamide
PubChem CID7202712
Molecular FormulaC14H8BrClN2OS
Molecular Weight367.66 g/mol
Exact Mass365.92
IUPAC NameN-(4-bromo-1,3-benzothiazol-2-yl)-2-chlorobenzamide
SMILESO=C(Nc1nc2c(Br)cccc2s1)c1ccccc1Cl
InChIInChI=1S/C14H8BrClN2OS/c15-9-5-3-7-11-12(9)17-14(20-11)18-13(19)8-4-1-2-6-10(8)16/h1-7H,(H,17,18,19)
InChIKeyLVWLUNCRMVDBKQ-UHFFFAOYSA-N
XLogP4.96
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.66
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-(4-fluoro-1,3-benzothiazol-2-yl)benzamide
CID 7193186
1-(4-bromo-1,3-benzothiazol-2-yl)-3-(2-chlorophenyl)urea
CID 121080985
N-(4-bromo-1,3-benzothiazol-2-yl)benzamide
CID 7202695
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-bromo-1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carboxamide
CID 7189855
2-bromo-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide
CID 7615172
N-(4-butan-2-yl-1,3-benzothiazol-2-yl)-2-chlorobenzamide
CID 177195106
4-bromo-N-(4-chloro-1,3-benzothiazol-2-yl)benzamide
CID 4570143
N-(4-chloro-1,3-benzothiazol-2-yl)-2,5-dimethylbenzamide
CID 3575126
2-bromo-N-(4-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 3431686
N-(4,5-dichloro-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide
CID 40619545

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-1,3-benzothiazol-2-yl)-2-chlorobenzamide?
The IUPAC name of N-(4-bromo-1,3-benzothiazol-2-yl)-2-chlorobenzamide (CID 7202712) is N-(4-bromo-1,3-benzothiazol-2-yl)-2-chlorobenzamide.
What is the SMILES notation for N-(4-bromo-1,3-benzothiazol-2-yl)-2-chlorobenzamide?
The canonical SMILES for N-(4-bromo-1,3-benzothiazol-2-yl)-2-chlorobenzamide is O=C(Nc1nc2c(Br)cccc2s1)c1ccccc1Cl.
What is the InChIKey of N-(4-bromo-1,3-benzothiazol-2-yl)-2-chlorobenzamide?
The InChIKey is LVWLUNCRMVDBKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrClN2OS/c15-9-5-3-7-11-12(9)17-14(20-11)18-13(19)8-4-1-2-6-10(8)16/h1-7H,(H,17,18,19).
What are the key properties of N-(4-bromo-1,3-benzothiazol-2-yl)-2-chlorobenzamide?
N-(4-bromo-1,3-benzothiazol-2-yl)-2-chlorobenzamide has a molecular weight of 367.66 g/mol, XLogP of 4.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-1,3-benzothiazol-2-yl)-2-chlorobenzamide is sourced from PubChem (CID 7202712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).