3-[(2-bromo-4-fluorobenzoyl)amino]thiophene-2-carboxylic acid

C12H7BrFNO3S — CID 16771343

IUPAC3-[(2-bromo-4-fluorobenzoyl)amino]thiophene-2-carboxylic acid
SMILESO=C(Nc1ccsc1C(=O)O)c1ccc(F)cc1Br
InChIInChI=1S/C12H7BrFNO3S/c13-8-5-6(14)1-2-7(8)11(16)15-9-3-4-19-10(9)12(17)18/h1-5H,(H,15,16)(H,17,18)
InChIKeyHVVQHQWJBFHUEN-UHFFFAOYSA-N
MW344.16 g/mol
LogP3.60
Rot. Bonds3

About 3-[(2-bromo-4-fluorobenzoyl)amino]thiophene-2-carboxylic acid

3-[(2-bromo-4-fluorobenzoyl)amino]thiophene-2-carboxylic acid (PubChem CID 16771343) has the molecular formula C12H7BrFNO3S and a molecular weight of 344.16 g/mol. Its IUPAC name is 3-[(2-bromo-4-fluorobenzoyl)amino]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[(2-bromo-4-fluorobenzoyl)amino]thiophene-2-carboxylic acid
PubChem CID16771343
Molecular FormulaC12H7BrFNO3S
Molecular Weight344.16 g/mol
Exact Mass342.93
IUPAC Name3-[(2-bromo-4-fluorobenzoyl)amino]thiophene-2-carboxylic acid
SMILESO=C(Nc1ccsc1C(=O)O)c1ccc(F)cc1Br
InChIInChI=1S/C12H7BrFNO3S/c13-8-5-6(14)1-2-7(8)11(16)15-9-3-4-19-10(9)12(17)18/h1-5H,(H,15,16)(H,17,18)
InChIKeyHVVQHQWJBFHUEN-UHFFFAOYSA-N
XLogP3.60
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.16
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[(2-bromo-4-fluorobenzoyl)amino]thiophene-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(2,4-difluorobenzoyl)amino]thiophene-2-carboxylic acid
CID 16776930
3-[(2-bromo-4-chlorobenzoyl)amino]thiophene-2-carboxylic acid
CID 114024343
3-[(2-bromo-4-fluorobenzoyl)amino]-4-methylthiophene-2-carboxylic acid
CID 114914905
2-bromo-N-(2,5-difluorophenyl)-4-fluorobenzamide
CID 24710516
3-[(3-bromo-4-fluorobenzoyl)amino]thiophene-2-carboxylic acid
CID 107948948
3-[(2-bromo-5-methylbenzoyl)amino]thiophene-2-carboxylic acid
CID 81109933
5-[(2-bromo-4-fluorobenzoyl)amino]-3-methylthiophene-2-carboxylic acid
CID 16772531
2-bromo-4-fluoro-N-(4-fluoro-2-methylphenyl)benzamide
CID 9192994
2-bromo-4-fluoro-N-phenylbenzamide
CID 17461201
2-[(2-bromo-4-fluorobenzoyl)amino]-5-nitrobenzoic acid
CID 16771403
3-[(2,4-difluorophenyl)carbamoylamino]thiophene-2-carboxylic acid
CID 43214101
N-(2-bromo-4-fluorophenyl)-3-chlorothiophene-2-carboxamide
CID 80645283

Frequently Asked Questions

What is the IUPAC name of 3-[(2-bromo-4-fluorobenzoyl)amino]thiophene-2-carboxylic acid?
The IUPAC name of 3-[(2-bromo-4-fluorobenzoyl)amino]thiophene-2-carboxylic acid (CID 16771343) is 3-[(2-bromo-4-fluorobenzoyl)amino]thiophene-2-carboxylic acid.
What is the SMILES notation for 3-[(2-bromo-4-fluorobenzoyl)amino]thiophene-2-carboxylic acid?
The canonical SMILES for 3-[(2-bromo-4-fluorobenzoyl)amino]thiophene-2-carboxylic acid is O=C(Nc1ccsc1C(=O)O)c1ccc(F)cc1Br.
What is the InChIKey of 3-[(2-bromo-4-fluorobenzoyl)amino]thiophene-2-carboxylic acid?
The InChIKey is HVVQHQWJBFHUEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrFNO3S/c13-8-5-6(14)1-2-7(8)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-bromo-4-fluorobenzoyl)amino]thiophene-2-carboxylic acid?
3-[(2-bromo-4-fluorobenzoyl)amino]thiophene-2-carboxylic acid has a molecular weight of 344.16 g/mol, XLogP of 3.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-bromo-4-fluorobenzoyl)amino]thiophene-2-carboxylic acid is sourced from PubChem (CID 16771343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).