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

C15H10BrClN2O2S — CID 1289042

IUPACN-(1,3-benzothiazol-2-yl)-2-(2-bromo-4-chlorophenoxy)acetamide
SMILESO=C(COc1ccc(Cl)cc1Br)Nc1nc2ccccc2s1
InChIInChI=1S/C15H10BrClN2O2S/c16-10-7-9(17)5-6-12(10)21-8-14(20)19-15-18-11-3-1-2-4-13(11)22-15/h1-7H,8H2,(H,18,19,20)
InChIKeyPVGYIGZWQXMDKK-UHFFFAOYSA-N
MW397.68 g/mol
LogP4.73
Rot. Bonds4

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

N-(1,3-benzothiazol-2-yl)-2-(2-bromo-4-chlorophenoxy)acetamide (PubChem CID 1289042) has the molecular formula C15H10BrClN2O2S and a molecular weight of 397.68 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-2-(2-bromo-4-chlorophenoxy)acetamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-2-(2-bromo-4-chlorophenoxy)acetamide
PubChem CID1289042
Molecular FormulaC15H10BrClN2O2S
Molecular Weight397.68 g/mol
Exact Mass395.93
IUPAC NameN-(1,3-benzothiazol-2-yl)-2-(2-bromo-4-chlorophenoxy)acetamide
SMILESO=C(COc1ccc(Cl)cc1Br)Nc1nc2ccccc2s1
InChIInChI=1S/C15H10BrClN2O2S/c16-10-7-9(17)5-6-12(10)21-8-14(20)19-15-18-11-3-1-2-4-13(11)22-15/h1-7H,8H2,(H,18,19,20)
InChIKeyPVGYIGZWQXMDKK-UHFFFAOYSA-N
XLogP4.73
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.68
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-bromonaphthalen-2-yl)oxy-N-(6-chloro-1,3-benzothiazol-2-yl)acetamide
CID 54783479
N-(6-chloro-1,3-benzothiazol-2-yl)-2-(2,5-dichlorophenoxy)acetamide
CID 108761849
N-(1,3-benzothiazol-2-yl)-2-(4-bromo-2,5-dimethylphenoxy)acetamide
CID 1253918
2-(2-bromo-4-chlorophenoxy)-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 19203232
2-(2-bromo-4-chlorophenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 19202180
N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-2-(2,4-dichlorophenoxy)acetamide
CID 4611500
2-(2,4-dichlorophenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide
CID 4126350
N-(4,6-dichloro-1,3-benzothiazol-2-yl)-2-(2,4-dichlorophenoxy)acetamide
CID 42387652
2-(2-bromo-4-chlorophenoxy)-N-(2-fluorophenyl)acetamide
CID 2627508
2-(2-bromo-4-chlorophenoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 19202970
N-(1,3-benzothiazol-2-yl)-2-(2-nitrophenoxy)acetamide
CID 7793934
2-(2-bromo-4-chlorophenoxy)-N'-[2-(2-chlorophenoxy)acetyl]acetohydrazide
CID 5229550

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-2-(2-bromo-4-chlorophenoxy)acetamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-2-(2-bromo-4-chlorophenoxy)acetamide (CID 1289042) is N-(1,3-benzothiazol-2-yl)-2-(2-bromo-4-chlorophenoxy)acetamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-2-(2-bromo-4-chlorophenoxy)acetamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-2-(2-bromo-4-chlorophenoxy)acetamide is O=C(COc1ccc(Cl)cc1Br)Nc1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-2-(2-bromo-4-chlorophenoxy)acetamide?
The InChIKey is PVGYIGZWQXMDKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrClN2O2S/c16-10-7-9(17)5-6-12(10)21-8-14(20)19-15-18-11-3-1-2-4-13(11)22-15/h1-7H,8H2,(H,18,19,20).
What are the key properties of N-(1,3-benzothiazol-2-yl)-2-(2-bromo-4-chlorophenoxy)acetamide?
N-(1,3-benzothiazol-2-yl)-2-(2-bromo-4-chlorophenoxy)acetamide has a molecular weight of 397.68 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-2-(2-bromo-4-chlorophenoxy)acetamide is sourced from PubChem (CID 1289042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).