3-bromo-N-(2-bromo-5-chloro-4-methylphenyl)thiophene-2-carboxamide

C12H8Br2ClNOS — CID 104723934

IUPAC3-bromo-N-(2-bromo-5-chloro-4-methylphenyl)thiophene-2-carboxamide
SMILESCc1cc(Br)c(NC(=O)c2sccc2Br)cc1Cl
InChIInChI=1S/C12H8Br2ClNOS/c1-6-4-8(14)10(5-9(6)15)16-12(17)11-7(13)2-3-18-11/h2-5H,1H3,(H,16,17)
InChIKeyMUPFJXOTNDWIPE-UHFFFAOYSA-N
MW409.53 g/mol
LogP5.49
Rot. Bonds2

About 3-bromo-N-(2-bromo-5-chloro-4-methylphenyl)thiophene-2-carboxamide

3-bromo-N-(2-bromo-5-chloro-4-methylphenyl)thiophene-2-carboxamide (PubChem CID 104723934) has the molecular formula C12H8Br2ClNOS and a molecular weight of 409.53 g/mol. Its IUPAC name is 3-bromo-N-(2-bromo-5-chloro-4-methylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-(2-bromo-5-chloro-4-methylphenyl)thiophene-2-carboxamide
PubChem CID104723934
Molecular FormulaC12H8Br2ClNOS
Molecular Weight409.53 g/mol
Exact Mass406.84
IUPAC Name3-bromo-N-(2-bromo-5-chloro-4-methylphenyl)thiophene-2-carboxamide
SMILESCc1cc(Br)c(NC(=O)c2sccc2Br)cc1Cl
InChIInChI=1S/C12H8Br2ClNOS/c1-6-4-8(14)10(5-9(6)15)16-12(17)11-7(13)2-3-18-11/h2-5H,1H3,(H,16,17)
InChIKeyMUPFJXOTNDWIPE-UHFFFAOYSA-N
XLogP5.49
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.53
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromo-5-chloro-4-methylphenyl)-3-methylthiophene-2-carboxamide
CID 104723964
3-bromo-N-[2-chloro-5-(methylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 60794257
3-bromo-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)thiophene-2-carboxamide
CID 47233334
3-bromo-N-(2,4,6-trichlorophenyl)thiophene-2-carboxamide
CID 63799545
N-(2-bromo-5-chloro-4-methylphenyl)pyridine-4-carboxamide
CID 104723857
N-(2-bromo-5-chloro-4-methylphenyl)pyridine-2-carboxamide
CID 113445582
N-(2-bromo-5-chloro-4-methylphenyl)-2,4-dimethylbenzamide
CID 104724000
N-(5-bromo-2-chlorophenyl)-3-methylthiophene-2-carboxamide
CID 55133221
N-(2-amino-4-methylphenyl)-3-bromothiophene-2-carboxamide
CID 63804092
3-bromo-N-(3-chloro-2-fluorophenyl)thiophene-2-carboxamide
CID 60778064
3-bromo-N-(2-chloro-4-cyanophenyl)thiophene-2-carboxamide
CID 103799691
3-bromo-N-(2,6-dichloro-4-methyl-3-pyridinyl)thiophene-2-carboxamide
CID 103738307

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-bromo-5-chloro-4-methylphenyl)thiophene-2-carboxamide?
The IUPAC name of 3-bromo-N-(2-bromo-5-chloro-4-methylphenyl)thiophene-2-carboxamide (CID 104723934) is 3-bromo-N-(2-bromo-5-chloro-4-methylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-bromo-N-(2-bromo-5-chloro-4-methylphenyl)thiophene-2-carboxamide?
The canonical SMILES for 3-bromo-N-(2-bromo-5-chloro-4-methylphenyl)thiophene-2-carboxamide is Cc1cc(Br)c(NC(=O)c2sccc2Br)cc1Cl.
What is the InChIKey of 3-bromo-N-(2-bromo-5-chloro-4-methylphenyl)thiophene-2-carboxamide?
The InChIKey is MUPFJXOTNDWIPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Br2ClNOS/c1-6-4-8(14)10(5-9(6)15)16-12(17)11-7(13)2-3-18-11/h2-5H,1H3,(H,16,17).
What are the key properties of 3-bromo-N-(2-bromo-5-chloro-4-methylphenyl)thiophene-2-carboxamide?
3-bromo-N-(2-bromo-5-chloro-4-methylphenyl)thiophene-2-carboxamide has a molecular weight of 409.53 g/mol, XLogP of 5.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2-bromo-5-chloro-4-methylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 104723934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).