5-[(2-bromo-4-fluorobenzoyl)amino]-3-methylthiophene-2-carboxylic acid

C13H9BrFNO3S — CID 16772531

IUPAC5-[(2-bromo-4-fluorobenzoyl)amino]-3-methylthiophene-2-carboxylic acid
SMILESCc1cc(NC(=O)c2ccc(F)cc2Br)sc1C(=O)O
InChIInChI=1S/C13H9BrFNO3S/c1-6-4-10(20-11(6)13(18)19)16-12(17)8-3-2-7(15)5-9(8)14/h2-5H,1H3,(H,16,17)(H,18,19)
InChIKeyRFNXGGHGHCHQOF-UHFFFAOYSA-N
MW358.19 g/mol
LogP3.91
Rot. Bonds3

About 5-[(2-bromo-4-fluorobenzoyl)amino]-3-methylthiophene-2-carboxylic acid

5-[(2-bromo-4-fluorobenzoyl)amino]-3-methylthiophene-2-carboxylic acid (PubChem CID 16772531) has the molecular formula C13H9BrFNO3S and a molecular weight of 358.19 g/mol. Its IUPAC name is 5-[(2-bromo-4-fluorobenzoyl)amino]-3-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2-bromo-4-fluorobenzoyl)amino]-3-methylthiophene-2-carboxylic acid
PubChem CID16772531
Molecular FormulaC13H9BrFNO3S
Molecular Weight358.19 g/mol
Exact Mass356.95
IUPAC Name5-[(2-bromo-4-fluorobenzoyl)amino]-3-methylthiophene-2-carboxylic acid
SMILESCc1cc(NC(=O)c2ccc(F)cc2Br)sc1C(=O)O
InChIInChI=1S/C13H9BrFNO3S/c1-6-4-10(20-11(6)13(18)19)16-12(17)8-3-2-7(15)5-9(8)14/h2-5H,1H3,(H,16,17)(H,18,19)
InChIKeyRFNXGGHGHCHQOF-UHFFFAOYSA-N
XLogP3.91
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.19
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2-bromo-5-fluorobenzoyl)amino]-3-methylthiophene-2-carboxylic acid
CID 16772744
5-[(2-bromo-4-chlorobenzoyl)amino]-3-methylthiophene-2-carboxylic acid
CID 107986401
5-[(2,5-difluorobenzoyl)amino]-3-methylthiophene-2-carboxylic acid
CID 24701855
3-[(2-bromo-4-fluorobenzoyl)amino]-4-methylthiophene-2-carboxylic acid
CID 114914905
5-[(4-bromo-2-methoxybenzoyl)amino]-3-methylthiophene-2-carboxylic acid
CID 81368112
ethyl 5-[(2-bromo-5-fluorobenzoyl)amino]-3-methylthiophene-2-carboxylate
CID 51217328
3-[(2-bromo-4-fluorobenzoyl)amino]thiophene-2-carboxylic acid
CID 16771343
5-[(2-chloro-4-methylbenzoyl)amino]-3-methylthiophene-2-carboxylic acid
CID 106860463
2-bromo-4-fluoro-N-(4-fluoro-2-methylphenyl)benzamide
CID 9192994
2-[(2-bromo-4-fluorobenzoyl)amino]-3-methylbenzoic acid
CID 16771478
2-bromo-N-(4-bromo-2,6-dimethylphenyl)-4-fluorobenzamide
CID 28520538
2-bromo-4-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 16563023

Frequently Asked Questions

What is the IUPAC name of 5-[(2-bromo-4-fluorobenzoyl)amino]-3-methylthiophene-2-carboxylic acid?
The IUPAC name of 5-[(2-bromo-4-fluorobenzoyl)amino]-3-methylthiophene-2-carboxylic acid (CID 16772531) is 5-[(2-bromo-4-fluorobenzoyl)amino]-3-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 5-[(2-bromo-4-fluorobenzoyl)amino]-3-methylthiophene-2-carboxylic acid?
The canonical SMILES for 5-[(2-bromo-4-fluorobenzoyl)amino]-3-methylthiophene-2-carboxylic acid is Cc1cc(NC(=O)c2ccc(F)cc2Br)sc1C(=O)O.
What is the InChIKey of 5-[(2-bromo-4-fluorobenzoyl)amino]-3-methylthiophene-2-carboxylic acid?
The InChIKey is RFNXGGHGHCHQOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrFNO3S/c1-6-4-10(20-11(6)13(18)19)16-12(17)8-3-2-7(15)5-9(8)14/h2-5H,1H3,(H,16,17)(H,18,19).
What are the key properties of 5-[(2-bromo-4-fluorobenzoyl)amino]-3-methylthiophene-2-carboxylic acid?
5-[(2-bromo-4-fluorobenzoyl)amino]-3-methylthiophene-2-carboxylic acid has a molecular weight of 358.19 g/mol, XLogP of 3.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-bromo-4-fluorobenzoyl)amino]-3-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 16772531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).