2-[(2-bromo-3-fluorobenzoyl)amino]-2-thiophen-2-ylacetic acid

C13H9BrFNO3S — CID 115284171

IUPAC2-[(2-bromo-3-fluorobenzoyl)amino]-2-thiophen-2-ylacetic acid
SMILESO=C(NC(C(=O)O)c1cccs1)c1cccc(F)c1Br
InChIInChI=1S/C13H9BrFNO3S/c14-10-7(3-1-4-8(10)15)12(17)16-11(13(18)19)9-5-2-6-20-9/h1-6,11H,(H,16,17)(H,18,19)
InChIKeyUQEMCRQKQBCROO-UHFFFAOYSA-N
MW358.19 g/mol
LogP3.21
Rot. Bonds4

About 2-[(2-bromo-3-fluorobenzoyl)amino]-2-thiophen-2-ylacetic acid

2-[(2-bromo-3-fluorobenzoyl)amino]-2-thiophen-2-ylacetic acid (PubChem CID 115284171) has the molecular formula C13H9BrFNO3S and a molecular weight of 358.19 g/mol. Its IUPAC name is 2-[(2-bromo-3-fluorobenzoyl)amino]-2-thiophen-2-ylacetic acid.

Molecular Properties

Compound Name2-[(2-bromo-3-fluorobenzoyl)amino]-2-thiophen-2-ylacetic acid
PubChem CID115284171
Molecular FormulaC13H9BrFNO3S
Molecular Weight358.19 g/mol
Exact Mass356.95
IUPAC Name2-[(2-bromo-3-fluorobenzoyl)amino]-2-thiophen-2-ylacetic acid
SMILESO=C(NC(C(=O)O)c1cccs1)c1cccc(F)c1Br
InChIInChI=1S/C13H9BrFNO3S/c14-10-7(3-1-4-8(10)15)12(17)16-11(13(18)19)9-5-2-6-20-9/h1-6,11H,(H,16,17)(H,18,19)
InChIKeyUQEMCRQKQBCROO-UHFFFAOYSA-N
XLogP3.21
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.19
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-fluoro-6-hydroxybenzoyl)amino]-2-thiophen-2-ylacetic acid
CID 107013766
2-[(2,4-difluorobenzoyl)amino]-2-thiophen-2-ylacetic acid
CID 115283875
2-[(3-bromo-4-fluorobenzoyl)amino]-2-thiophen-2-ylacetic acid
CID 107949412
2-[(3-chloro-2-methylbenzoyl)amino]-2-thiophen-2-ylacetic acid
CID 107096030
2-[(3,5-dibromobenzoyl)amino]-2-thiophen-2-ylacetic acid
CID 107971632
2-[(5-chloro-2-methylbenzoyl)amino]-2-thiophen-2-ylacetic acid
CID 82883193
2-[(3-methylbenzoyl)amino]-2-thiophen-2-ylacetic acid
CID 79018523
2-acetamido-2-thiophen-2-ylacetic acid;methane
CID 21485358
2-[(3-fluoro-4-methoxybenzoyl)amino]-2-thiophen-2-ylacetic acid
CID 115283909
2-[(3-bromo-4-chlorobenzoyl)amino]-2-thiophen-2-ylacetic acid
CID 107998044
N-[(2R)-1-aminopropan-2-yl]-2-bromo-3-fluorobenzamide
CID 104877025
(2R)-2-(oxamoylamino)-2-thiophen-2-ylacetic acid
CID 70554703

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-3-fluorobenzoyl)amino]-2-thiophen-2-ylacetic acid?
The IUPAC name of 2-[(2-bromo-3-fluorobenzoyl)amino]-2-thiophen-2-ylacetic acid (CID 115284171) is 2-[(2-bromo-3-fluorobenzoyl)amino]-2-thiophen-2-ylacetic acid.
What is the SMILES notation for 2-[(2-bromo-3-fluorobenzoyl)amino]-2-thiophen-2-ylacetic acid?
The canonical SMILES for 2-[(2-bromo-3-fluorobenzoyl)amino]-2-thiophen-2-ylacetic acid is O=C(NC(C(=O)O)c1cccs1)c1cccc(F)c1Br.
What is the InChIKey of 2-[(2-bromo-3-fluorobenzoyl)amino]-2-thiophen-2-ylacetic acid?
The InChIKey is UQEMCRQKQBCROO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrFNO3S/c14-10-7(3-1-4-8(10)15)12(17)16-11(13(18)19)9-5-2-6-20-9/h1-6,11H,(H,16,17)(H,18,19).
What are the key properties of 2-[(2-bromo-3-fluorobenzoyl)amino]-2-thiophen-2-ylacetic acid?
2-[(2-bromo-3-fluorobenzoyl)amino]-2-thiophen-2-ylacetic acid has a molecular weight of 358.19 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-3-fluorobenzoyl)amino]-2-thiophen-2-ylacetic acid is sourced from PubChem (CID 115284171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).