5-bromo-N-[4-bromo-2-(trifluoromethyl)phenyl]thiophene-3-carboxamide

C12H6Br2F3NOS — CID 60792710

IUPAC5-bromo-N-[4-bromo-2-(trifluoromethyl)phenyl]thiophene-3-carboxamide
SMILESO=C(Nc1ccc(Br)cc1C(F)(F)F)c1csc(Br)c1
InChIInChI=1S/C12H6Br2F3NOS/c13-7-1-2-9(8(4-7)12(15,16)17)18-11(19)6-3-10(14)20-5-6/h1-5H,(H,18,19)
InChIKeyXOVAPMNBBMRFBS-UHFFFAOYSA-N
MW429.06 g/mol
LogP5.54
Rot. Bonds2

About 5-bromo-N-[4-bromo-2-(trifluoromethyl)phenyl]thiophene-3-carboxamide

5-bromo-N-[4-bromo-2-(trifluoromethyl)phenyl]thiophene-3-carboxamide (PubChem CID 60792710) has the molecular formula C12H6Br2F3NOS and a molecular weight of 429.06 g/mol. Its IUPAC name is 5-bromo-N-[4-bromo-2-(trifluoromethyl)phenyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[4-bromo-2-(trifluoromethyl)phenyl]thiophene-3-carboxamide
PubChem CID60792710
Molecular FormulaC12H6Br2F3NOS
Molecular Weight429.06 g/mol
Exact Mass426.85
IUPAC Name5-bromo-N-[4-bromo-2-(trifluoromethyl)phenyl]thiophene-3-carboxamide
SMILESO=C(Nc1ccc(Br)cc1C(F)(F)F)c1csc(Br)c1
InChIInChI=1S/C12H6Br2F3NOS/c13-7-1-2-9(8(4-7)12(15,16)17)18-11(19)6-3-10(14)20-5-6/h1-5H,(H,18,19)
InChIKeyXOVAPMNBBMRFBS-UHFFFAOYSA-N
XLogP5.54
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.06
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-(5-bromo-2-methylphenyl)thiophene-3-carboxamide
CID 43806118
2-amino-N-[4-bromo-2-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 62788227
N-[4-bromo-2-(trifluoromethyl)phenyl]-6-fluoropyridine-3-carboxamide
CID 63971624
2-(aminomethyl)-N-[4-bromo-2-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 66376863
5-bromo-N-(2-fluoro-4-methylphenyl)thiophene-3-carboxamide
CID 43424569
5-bromo-N-(2-chloro-4-methylphenyl)thiophene-3-carboxamide
CID 43424548
N-[4-bromo-2-(trifluoromethyl)phenyl]-2,2-difluoroacetamide
CID 103515406
N-[4-bromo-2-(trifluoromethyl)phenyl]-4-chloropyridine-3-carboxamide
CID 81228966
N-[4-bromo-2-(trifluoromethyl)phenyl]-2-chloroacetamide
CID 2779486
N-(4-bromo-2-fluorophenyl)-5-iodothiophene-3-carboxamide
CID 78949454
3-amino-N-[4-bromo-2-(trifluoromethyl)phenyl]-2,2,3-trimethylbutanamide
CID 65264263
N-[4-bromo-2-(trifluoromethyl)phenyl]-2-chloropyridine-3-carboxamide
CID 60790795

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-bromo-2-(trifluoromethyl)phenyl]thiophene-3-carboxamide?
The IUPAC name of 5-bromo-N-[4-bromo-2-(trifluoromethyl)phenyl]thiophene-3-carboxamide (CID 60792710) is 5-bromo-N-[4-bromo-2-(trifluoromethyl)phenyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[4-bromo-2-(trifluoromethyl)phenyl]thiophene-3-carboxamide?
The canonical SMILES for 5-bromo-N-[4-bromo-2-(trifluoromethyl)phenyl]thiophene-3-carboxamide is O=C(Nc1ccc(Br)cc1C(F)(F)F)c1csc(Br)c1.
What is the InChIKey of 5-bromo-N-[4-bromo-2-(trifluoromethyl)phenyl]thiophene-3-carboxamide?
The InChIKey is XOVAPMNBBMRFBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Br2F3NOS/c13-7-1-2-9(8(4-7)12(15,16)17)18-11(19)6-3-10(14)20-5-6/h1-5H,(H,18,19).
What are the key properties of 5-bromo-N-[4-bromo-2-(trifluoromethyl)phenyl]thiophene-3-carboxamide?
5-bromo-N-[4-bromo-2-(trifluoromethyl)phenyl]thiophene-3-carboxamide has a molecular weight of 429.06 g/mol, XLogP of 5.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-bromo-2-(trifluoromethyl)phenyl]thiophene-3-carboxamide is sourced from PubChem (CID 60792710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).