3-bromo-N-(2,4-difluorophenyl)thiophene-2-carboxamide

C11H6BrF2NOS — CID 47231630

IUPAC3-bromo-N-(2,4-difluorophenyl)thiophene-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)c1sccc1Br
InChIInChI=1S/C11H6BrF2NOS/c12-7-3-4-17-10(7)11(16)15-9-2-1-6(13)5-8(9)14/h1-5H,(H,15,16)
InChIKeyVFJSYDMAPNOZLJ-UHFFFAOYSA-N
MW318.14 g/mol
LogP4.04
Rot. Bonds2

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

3-bromo-N-(2,4-difluorophenyl)thiophene-2-carboxamide (PubChem CID 47231630) has the molecular formula C11H6BrF2NOS and a molecular weight of 318.14 g/mol. Its IUPAC name is 3-bromo-N-(2,4-difluorophenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-(2,4-difluorophenyl)thiophene-2-carboxamide
PubChem CID47231630
Molecular FormulaC11H6BrF2NOS
Molecular Weight318.14 g/mol
Exact Mass316.93
IUPAC Name3-bromo-N-(2,4-difluorophenyl)thiophene-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)c1sccc1Br
InChIInChI=1S/C11H6BrF2NOS/c12-7-3-4-17-10(7)11(16)15-9-2-1-6(13)5-8(9)14/h1-5H,(H,15,16)
InChIKeyVFJSYDMAPNOZLJ-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

3-bromo-N-(2-fluoro-4-sulfamoylphenyl)thiophene-2-carboxamide
CID 63297240
N-(2-bromo-4-fluorophenyl)-3-chlorothiophene-2-carboxamide
CID 80645283
2-[(3-bromothiophene-2-carbonyl)amino]-6-fluorobenzoic acid
CID 55240484
3-[(2,4-difluorophenyl)carbamoylamino]thiophene-2-carboxylic acid
CID 43214101
N-(2-amino-4-methylphenyl)-3-bromothiophene-2-carboxamide
CID 63804092
N-(4-bromo-2,5-difluorophenyl)-3-methoxythiophene-2-carboxamide
CID 113330149
3-bromo-N-(5-fluoro-2-pyridinyl)thiophene-2-carboxamide
CID 63236031
1-N,4-N-bis(2,4-difluorophenyl)benzene-1,4-dicarboxamide
CID 3596826
3-[(2-bromo-4-fluorobenzoyl)amino]thiophene-2-carboxylic acid
CID 16771343
3-bromo-N-(3-chloro-2-fluorophenyl)thiophene-2-carboxamide
CID 60778064
3-[(2,4-difluorobenzoyl)amino]thiophene-2-carboxylic acid
CID 16776930
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-difluorophenyl)thiophene-2-carboxamide?
The IUPAC name of 3-bromo-N-(2,4-difluorophenyl)thiophene-2-carboxamide (CID 47231630) is 3-bromo-N-(2,4-difluorophenyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-bromo-N-(2,4-difluorophenyl)thiophene-2-carboxamide?
The canonical SMILES for 3-bromo-N-(2,4-difluorophenyl)thiophene-2-carboxamide is O=C(Nc1ccc(F)cc1F)c1sccc1Br.
What is the InChIKey of 3-bromo-N-(2,4-difluorophenyl)thiophene-2-carboxamide?
The InChIKey is VFJSYDMAPNOZLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrF2NOS/c12-7-3-4-17-10(7)11(16)15-9-2-1-6(13)5-8(9)14/h1-5H,(H,15,16).
What are the key properties of 3-bromo-N-(2,4-difluorophenyl)thiophene-2-carboxamide?
3-bromo-N-(2,4-difluorophenyl)thiophene-2-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 3-bromo-N-(2,4-difluorophenyl)thiophene-2-carboxamide is sourced from PubChem (CID 47231630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).