5-bromo-N-(3,5-difluorophenyl)thiophene-3-carboxamide

C11H6BrF2NOS — CID 39642819

IUPAC5-bromo-N-(3,5-difluorophenyl)thiophene-3-carboxamide
SMILESO=C(Nc1cc(F)cc(F)c1)c1csc(Br)c1
InChIInChI=1S/C11H6BrF2NOS/c12-10-1-6(5-17-10)11(16)15-9-3-7(13)2-8(14)4-9/h1-5H,(H,15,16)
InChIKeyYFTZQEMMRJGOFS-UHFFFAOYSA-N
MW318.14 g/mol
LogP4.04
Rot. Bonds2

About 5-bromo-N-(3,5-difluorophenyl)thiophene-3-carboxamide

5-bromo-N-(3,5-difluorophenyl)thiophene-3-carboxamide (PubChem CID 39642819) has the molecular formula C11H6BrF2NOS and a molecular weight of 318.14 g/mol. Its IUPAC name is 5-bromo-N-(3,5-difluorophenyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(3,5-difluorophenyl)thiophene-3-carboxamide
PubChem CID39642819
Molecular FormulaC11H6BrF2NOS
Molecular Weight318.14 g/mol
Exact Mass316.93
IUPAC Name5-bromo-N-(3,5-difluorophenyl)thiophene-3-carboxamide
SMILESO=C(Nc1cc(F)cc(F)c1)c1csc(Br)c1
InChIInChI=1S/C11H6BrF2NOS/c12-10-1-6(5-17-10)11(16)15-9-3-7(13)2-8(14)4-9/h1-5H,(H,15,16)
InChIKeyYFTZQEMMRJGOFS-UHFFFAOYSA-N
XLogP4.04
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.14
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-(4-fluoro-3-methylphenyl)thiophene-3-carboxamide
CID 62812532
5-bromo-N-(4-chlorophenyl)thiophene-3-carboxamide
CID 43424533
3,5-dibromo-N-(3,5-difluorophenyl)benzamide
CID 107980035
5-bromo-N-(3,4,5-trimethoxyphenyl)thiophene-3-carboxamide
CID 43424437
5-bromo-N-(3-fluoro-4-methoxyphenyl)thiophene-3-carboxamide
CID 43612160
5-bromo-N-[4-(chloromethyl)phenyl]thiophene-3-carboxamide
CID 107966029
5-bromo-N-[4-(difluoromethoxy)-3-fluorophenyl]thiophene-3-carboxamide
CID 47267877
N-(3,5-dibromo-4-hydroxyphenyl)-3,5-difluorobenzamide
CID 25224306
5-bromo-N-[6-(trifluoromethyl)-3-pyridinyl]thiophene-3-carboxamide
CID 82706170
1-(5-bromothiophen-3-yl)-2-(3,5-difluorophenyl)ethanone
CID 105412119
5-bromo-N-(3-ethynylphenyl)thiophene-3-carboxamide
CID 39677708
5-bromo-N-(3-bromo-4-methoxyphenyl)thiophene-3-carboxamide
CID 63999218

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3,5-difluorophenyl)thiophene-3-carboxamide?
The IUPAC name of 5-bromo-N-(3,5-difluorophenyl)thiophene-3-carboxamide (CID 39642819) is 5-bromo-N-(3,5-difluorophenyl)thiophene-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(3,5-difluorophenyl)thiophene-3-carboxamide?
The canonical SMILES for 5-bromo-N-(3,5-difluorophenyl)thiophene-3-carboxamide is O=C(Nc1cc(F)cc(F)c1)c1csc(Br)c1.
What is the InChIKey of 5-bromo-N-(3,5-difluorophenyl)thiophene-3-carboxamide?
The InChIKey is YFTZQEMMRJGOFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrF2NOS/c12-10-1-6(5-17-10)11(16)15-9-3-7(13)2-8(14)4-9/h1-5H,(H,15,16).
What are the key properties of 5-bromo-N-(3,5-difluorophenyl)thiophene-3-carboxamide?
5-bromo-N-(3,5-difluorophenyl)thiophene-3-carboxamide has a molecular weight of 318.14 g/mol, XLogP of 4.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3,5-difluorophenyl)thiophene-3-carboxamide is sourced from PubChem (CID 39642819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).