5-bromo-N-(3-fluoro-4-methoxyphenyl)thiophene-3-carboxamide

C12H9BrFNO2S — CID 43612160

IUPAC5-bromo-N-(3-fluoro-4-methoxyphenyl)thiophene-3-carboxamide
SMILESCOc1ccc(NC(=O)c2csc(Br)c2)cc1F
InChIInChI=1S/C12H9BrFNO2S/c1-17-10-3-2-8(5-9(10)14)15-12(16)7-4-11(13)18-6-7/h2-6H,1H3,(H,15,16)
InChIKeyXQNCPBLWGNLQNK-UHFFFAOYSA-N
MW330.18 g/mol
LogP3.91
Rot. Bonds3

About 5-bromo-N-(3-fluoro-4-methoxyphenyl)thiophene-3-carboxamide

5-bromo-N-(3-fluoro-4-methoxyphenyl)thiophene-3-carboxamide (PubChem CID 43612160) has the molecular formula C12H9BrFNO2S and a molecular weight of 330.18 g/mol. Its IUPAC name is 5-bromo-N-(3-fluoro-4-methoxyphenyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(3-fluoro-4-methoxyphenyl)thiophene-3-carboxamide
PubChem CID43612160
Molecular FormulaC12H9BrFNO2S
Molecular Weight330.18 g/mol
Exact Mass328.95
IUPAC Name5-bromo-N-(3-fluoro-4-methoxyphenyl)thiophene-3-carboxamide
SMILESCOc1ccc(NC(=O)c2csc(Br)c2)cc1F
InChIInChI=1S/C12H9BrFNO2S/c1-17-10-3-2-8(5-9(10)14)15-12(16)7-4-11(13)18-6-7/h2-6H,1H3,(H,15,16)
InChIKeyXQNCPBLWGNLQNK-UHFFFAOYSA-N
XLogP3.91
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.18
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(3-bromo-4-methoxyphenyl)thiophene-3-carboxamide
CID 63999218
5-bromo-N-[4-(difluoromethoxy)-3-fluorophenyl]thiophene-3-carboxamide
CID 47267877
5-bromo-N-(4-fluoro-3-methylphenyl)thiophene-3-carboxamide
CID 62812532
5-bromo-N-(3,4,5-trimethoxyphenyl)thiophene-3-carboxamide
CID 43424437
N-(3-fluoro-4-methoxyphenyl)-3,5-dihydroxybenzamide
CID 103892052
N-(3-fluoro-4-methoxyphenyl)-2,6-dimethoxybenzamide
CID 110776470
5-bromo-N-(4-chlorophenyl)thiophene-3-carboxamide
CID 43424533
N-(3-fluoro-4-methoxyphenyl)-1H-indole-6-carboxamide
CID 60971449
5-bromo-N-[4-[(2-methoxyacetyl)amino]phenyl]thiophene-3-carboxamide
CID 37436093
2-bromo-N-(3-fluoro-4-methoxyphenyl)-3-methylbenzamide
CID 103853347
5-bromo-N-(3,5-difluorophenyl)thiophene-3-carboxamide
CID 39642819
N-(3-fluoro-4-methoxyphenyl)-4-hydroxy-3-methylbenzamide
CID 103951806

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-fluoro-4-methoxyphenyl)thiophene-3-carboxamide?
The IUPAC name of 5-bromo-N-(3-fluoro-4-methoxyphenyl)thiophene-3-carboxamide (CID 43612160) is 5-bromo-N-(3-fluoro-4-methoxyphenyl)thiophene-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(3-fluoro-4-methoxyphenyl)thiophene-3-carboxamide?
The canonical SMILES for 5-bromo-N-(3-fluoro-4-methoxyphenyl)thiophene-3-carboxamide is COc1ccc(NC(=O)c2csc(Br)c2)cc1F.
What is the InChIKey of 5-bromo-N-(3-fluoro-4-methoxyphenyl)thiophene-3-carboxamide?
The InChIKey is XQNCPBLWGNLQNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrFNO2S/c1-17-10-3-2-8(5-9(10)14)15-12(16)7-4-11(13)18-6-7/h2-6H,1H3,(H,15,16).
What are the key properties of 5-bromo-N-(3-fluoro-4-methoxyphenyl)thiophene-3-carboxamide?
5-bromo-N-(3-fluoro-4-methoxyphenyl)thiophene-3-carboxamide has a molecular weight of 330.18 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3-fluoro-4-methoxyphenyl)thiophene-3-carboxamide is sourced from PubChem (CID 43612160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).