3-bromo-N-(2,4,6-trichlorophenyl)thiophene-2-carboxamide

C11H5BrCl3NOS — CID 63799545

IUPAC3-bromo-N-(2,4,6-trichlorophenyl)thiophene-2-carboxamide
SMILESO=C(Nc1c(Cl)cc(Cl)cc1Cl)c1sccc1Br
InChIInChI=1S/C11H5BrCl3NOS/c12-6-1-2-18-10(6)11(17)16-9-7(14)3-5(13)4-8(9)15/h1-4H,(H,16,17)
InChIKeyRKPKFBFDJHBZOU-UHFFFAOYSA-N
MW385.50 g/mol
LogP5.72
Rot. Bonds2

About 3-bromo-N-(2,4,6-trichlorophenyl)thiophene-2-carboxamide

3-bromo-N-(2,4,6-trichlorophenyl)thiophene-2-carboxamide (PubChem CID 63799545) has the molecular formula C11H5BrCl3NOS and a molecular weight of 385.50 g/mol. Its IUPAC name is 3-bromo-N-(2,4,6-trichlorophenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-(2,4,6-trichlorophenyl)thiophene-2-carboxamide
PubChem CID63799545
Molecular FormulaC11H5BrCl3NOS
Molecular Weight385.50 g/mol
Exact Mass382.83
IUPAC Name3-bromo-N-(2,4,6-trichlorophenyl)thiophene-2-carboxamide
SMILESO=C(Nc1c(Cl)cc(Cl)cc1Cl)c1sccc1Br
InChIInChI=1S/C11H5BrCl3NOS/c12-6-1-2-18-10(6)11(17)16-9-7(14)3-5(13)4-8(9)15/h1-4H,(H,16,17)
InChIKeyRKPKFBFDJHBZOU-UHFFFAOYSA-N
XLogP5.72
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.50
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-(2-bromo-5-chloro-4-methylphenyl)thiophene-2-carboxamide
CID 104723934
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CID 103738307
3-bromo-N-[2-chloro-4-[(E)-N'-hydroxycarbamimidoyl]phenyl]thiophene-2-carboxamide
CID 107809860
3-bromo-N-[4-chloro-3-(dimethylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 60778293
3-bromo-N-(2-chloro-4-cyanophenyl)thiophene-2-carboxamide
CID 103799691
3-bromo-N-[2-chloro-5-(methylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 60794257
3-bromo-N-(3-chloro-2-fluorophenyl)thiophene-2-carboxamide
CID 60778064
3-bromo-N-hydroxythiophene-2-carboxamide;hydrochloride
CID 88521756
3-bromo-N-(3-chloropyrazin-2-yl)thiophene-2-carboxamide
CID 102989148
3-bromo-N-(1,3,5-trimethylpyrazol-4-yl)thiophene-2-carboxamide
CID 5166739
3-bromo-N-[(3-chlorophenyl)methyl]thiophene-2-carboxamide
CID 47220417
3-bromo-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)thiophene-2-carboxamide
CID 47233334

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2,4,6-trichlorophenyl)thiophene-2-carboxamide?
The IUPAC name of 3-bromo-N-(2,4,6-trichlorophenyl)thiophene-2-carboxamide (CID 63799545) is 3-bromo-N-(2,4,6-trichlorophenyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-bromo-N-(2,4,6-trichlorophenyl)thiophene-2-carboxamide?
The canonical SMILES for 3-bromo-N-(2,4,6-trichlorophenyl)thiophene-2-carboxamide is O=C(Nc1c(Cl)cc(Cl)cc1Cl)c1sccc1Br.
What is the InChIKey of 3-bromo-N-(2,4,6-trichlorophenyl)thiophene-2-carboxamide?
The InChIKey is RKPKFBFDJHBZOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5BrCl3NOS/c12-6-1-2-18-10(6)11(17)16-9-7(14)3-5(13)4-8(9)15/h1-4H,(H,16,17).
What are the key properties of 3-bromo-N-(2,4,6-trichlorophenyl)thiophene-2-carboxamide?
3-bromo-N-(2,4,6-trichlorophenyl)thiophene-2-carboxamide has a molecular weight of 385.50 g/mol, XLogP of 5.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2,4,6-trichlorophenyl)thiophene-2-carboxamide is sourced from PubChem (CID 63799545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).