2-[(3-bromothiophene-2-carbonyl)amino]-6-fluorobenzoic acid

C12H7BrFNO3S — CID 55240484

IUPAC2-[(3-bromothiophene-2-carbonyl)amino]-6-fluorobenzoic acid
SMILESO=C(Nc1cccc(F)c1C(=O)O)c1sccc1Br
InChIInChI=1S/C12H7BrFNO3S/c13-6-4-5-19-10(6)11(16)15-8-3-1-2-7(14)9(8)12(17)18/h1-5H,(H,15,16)(H,17,18)
InChIKeyCGFXBAUCZNHHHI-UHFFFAOYSA-N
MW344.16 g/mol
LogP3.60
Rot. Bonds3

About 2-[(3-bromothiophene-2-carbonyl)amino]-6-fluorobenzoic acid

2-[(3-bromothiophene-2-carbonyl)amino]-6-fluorobenzoic acid (PubChem CID 55240484) has the molecular formula C12H7BrFNO3S and a molecular weight of 344.16 g/mol. Its IUPAC name is 2-[(3-bromothiophene-2-carbonyl)amino]-6-fluorobenzoic acid.

Molecular Properties

Compound Name2-[(3-bromothiophene-2-carbonyl)amino]-6-fluorobenzoic acid
PubChem CID55240484
Molecular FormulaC12H7BrFNO3S
Molecular Weight344.16 g/mol
Exact Mass342.93
IUPAC Name2-[(3-bromothiophene-2-carbonyl)amino]-6-fluorobenzoic acid
SMILESO=C(Nc1cccc(F)c1C(=O)O)c1sccc1Br
InChIInChI=1S/C12H7BrFNO3S/c13-6-4-5-19-10(6)11(16)15-8-3-1-2-7(14)9(8)12(17)18/h1-5H,(H,15,16)(H,17,18)
InChIKeyCGFXBAUCZNHHHI-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

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Related Compounds

3-bromo-N-(3-chloro-2-fluorophenyl)thiophene-2-carboxamide
CID 60778064
3-bromo-N-(2,4-difluorophenyl)thiophene-2-carboxamide
CID 47231630
2-[(4,5-dibromothiophene-2-carbonyl)amino]-6-fluorobenzoic acid
CID 43442741
2-benzamido-6-fluorobenzoic acid
CID 13389963
N-[2-(2-aminoethylcarbamoyl)phenyl]-3-bromothiophene-2-carboxamide
CID 107000041
2-[(3-bromo-4-chlorobenzoyl)amino]-6-fluorobenzoic acid
CID 107997743
2-fluoro-6-[(4-fluorobenzoyl)amino]benzoic acid
CID 13390039
N-(2-carbamothioyl-3-fluorophenyl)-3-chlorothiophene-2-carboxamide
CID 80645059
3-bromo-N-(2-cyanophenyl)thiophene-2-carboxamide
CID 63172712
3-bromo-N-(2-thiophen-2-ylphenyl)thiophene-2-carboxamide
CID 60778239
2-fluoro-6-(1,3-thiazol-2-ylcarbamoylamino)benzoic acid
CID 61187315
2-[(3,5-dihydroxybenzoyl)amino]-6-fluorobenzoic acid
CID 107702397

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromothiophene-2-carbonyl)amino]-6-fluorobenzoic acid?
The IUPAC name of 2-[(3-bromothiophene-2-carbonyl)amino]-6-fluorobenzoic acid (CID 55240484) is 2-[(3-bromothiophene-2-carbonyl)amino]-6-fluorobenzoic acid.
What is the SMILES notation for 2-[(3-bromothiophene-2-carbonyl)amino]-6-fluorobenzoic acid?
The canonical SMILES for 2-[(3-bromothiophene-2-carbonyl)amino]-6-fluorobenzoic acid is O=C(Nc1cccc(F)c1C(=O)O)c1sccc1Br.
What is the InChIKey of 2-[(3-bromothiophene-2-carbonyl)amino]-6-fluorobenzoic acid?
The InChIKey is CGFXBAUCZNHHHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrFNO3S/c13-6-4-5-19-10(6)11(16)15-8-3-1-2-7(14)9(8)12(17)18/h1-5H,(H,15,16)(H,17,18).
What are the key properties of 2-[(3-bromothiophene-2-carbonyl)amino]-6-fluorobenzoic acid?
2-[(3-bromothiophene-2-carbonyl)amino]-6-fluorobenzoic 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 2-[(3-bromothiophene-2-carbonyl)amino]-6-fluorobenzoic acid is sourced from PubChem (CID 55240484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).