3-[(2,4-difluorobenzoyl)amino]thiophene-2-carboxylic acid

C12H7F2NO3S — CID 16776930

IUPAC3-[(2,4-difluorobenzoyl)amino]thiophene-2-carboxylic acid
SMILESO=C(Nc1ccsc1C(=O)O)c1ccc(F)cc1F
InChIInChI=1S/C12H7F2NO3S/c13-6-1-2-7(8(14)5-6)11(16)15-9-3-4-19-10(9)12(17)18/h1-5H,(H,15,16)(H,17,18)
InChIKeyBDOVPHIXYWCUHP-UHFFFAOYSA-N
MW283.26 g/mol
LogP2.98
Rot. Bonds3

About 3-[(2,4-difluorobenzoyl)amino]thiophene-2-carboxylic acid

3-[(2,4-difluorobenzoyl)amino]thiophene-2-carboxylic acid (PubChem CID 16776930) has the molecular formula C12H7F2NO3S and a molecular weight of 283.26 g/mol. Its IUPAC name is 3-[(2,4-difluorobenzoyl)amino]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[(2,4-difluorobenzoyl)amino]thiophene-2-carboxylic acid
PubChem CID16776930
Molecular FormulaC12H7F2NO3S
Molecular Weight283.26 g/mol
Exact Mass283.01
IUPAC Name3-[(2,4-difluorobenzoyl)amino]thiophene-2-carboxylic acid
SMILESO=C(Nc1ccsc1C(=O)O)c1ccc(F)cc1F
InChIInChI=1S/C12H7F2NO3S/c13-6-1-2-7(8(14)5-6)11(16)15-9-3-4-19-10(9)12(17)18/h1-5H,(H,15,16)(H,17,18)
InChIKeyBDOVPHIXYWCUHP-UHFFFAOYSA-N
XLogP2.98
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.26
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-bromo-4-fluorobenzoyl)amino]thiophene-2-carboxylic acid
CID 16771343
3-[(2,4-difluorophenyl)carbamoylamino]thiophene-2-carboxylic acid
CID 43214101
3-[(2-fluoro-5-methylbenzoyl)amino]thiophene-2-carboxylic acid
CID 55083070
3-[(2,4-dichloro-5-fluorobenzoyl)amino]thiophene-2-carboxylic acid
CID 43171762
methyl 3-[(2-chloro-4-fluorobenzoyl)amino]thiophene-2-carboxylate
CID 6470591
3-[(2-bromo-4-chlorobenzoyl)amino]thiophene-2-carboxylic acid
CID 114024343
4-bromo-2-[(2,4-difluorobenzoyl)amino]benzoic acid
CID 60917051
methyl 3-[3-[(2,4-difluorobenzoyl)amino]propanoylamino]thiophene-2-carboxylate
CID 30670553
3-[[2-(2,4-difluorophenyl)sulfanylacetyl]amino]thiophene-2-carboxylic acid
CID 43171763
N-(5-chloro-2-fluorophenyl)-2,4-difluorobenzamide
CID 7899666
5-fluoro-2-[(2-fluoro-4-hydroxybenzoyl)amino]benzoic acid
CID 107674704
2-[(2,4-difluorobenzoyl)amino]-4-phenylbenzoic acid
CID 67343264

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-difluorobenzoyl)amino]thiophene-2-carboxylic acid?
The IUPAC name of 3-[(2,4-difluorobenzoyl)amino]thiophene-2-carboxylic acid (CID 16776930) is 3-[(2,4-difluorobenzoyl)amino]thiophene-2-carboxylic acid.
What is the SMILES notation for 3-[(2,4-difluorobenzoyl)amino]thiophene-2-carboxylic acid?
The canonical SMILES for 3-[(2,4-difluorobenzoyl)amino]thiophene-2-carboxylic acid is O=C(Nc1ccsc1C(=O)O)c1ccc(F)cc1F.
What is the InChIKey of 3-[(2,4-difluorobenzoyl)amino]thiophene-2-carboxylic acid?
The InChIKey is BDOVPHIXYWCUHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F2NO3S/c13-6-1-2-7(8(14)5-6)11(16)15-9-3-4-19-10(9)12(17)18/h1-5H,(H,15,16)(H,17,18).
What are the key properties of 3-[(2,4-difluorobenzoyl)amino]thiophene-2-carboxylic acid?
3-[(2,4-difluorobenzoyl)amino]thiophene-2-carboxylic acid has a molecular weight of 283.26 g/mol, XLogP of 2.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-difluorobenzoyl)amino]thiophene-2-carboxylic acid is sourced from PubChem (CID 16776930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).