2-[(2,4-difluorobenzoyl)amino]-2-thiophen-2-ylacetic acid

C13H9F2NO3S — CID 115283875

IUPAC2-[(2,4-difluorobenzoyl)amino]-2-thiophen-2-ylacetic acid
SMILESO=C(NC(C(=O)O)c1cccs1)c1ccc(F)cc1F
InChIInChI=1S/C13H9F2NO3S/c14-7-3-4-8(9(15)6-7)12(17)16-11(13(18)19)10-2-1-5-20-10/h1-6,11H,(H,16,17)(H,18,19)
InChIKeyCHOYGKRSESOBFP-UHFFFAOYSA-N
MW297.28 g/mol
LogP2.58
Rot. Bonds4

About 2-[(2,4-difluorobenzoyl)amino]-2-thiophen-2-ylacetic acid

2-[(2,4-difluorobenzoyl)amino]-2-thiophen-2-ylacetic acid (PubChem CID 115283875) has the molecular formula C13H9F2NO3S and a molecular weight of 297.28 g/mol. Its IUPAC name is 2-[(2,4-difluorobenzoyl)amino]-2-thiophen-2-ylacetic acid.

Molecular Properties

Compound Name2-[(2,4-difluorobenzoyl)amino]-2-thiophen-2-ylacetic acid
PubChem CID115283875
Molecular FormulaC13H9F2NO3S
Molecular Weight297.28 g/mol
Exact Mass297.03
IUPAC Name2-[(2,4-difluorobenzoyl)amino]-2-thiophen-2-ylacetic acid
SMILESO=C(NC(C(=O)O)c1cccs1)c1ccc(F)cc1F
InChIInChI=1S/C13H9F2NO3S/c14-7-3-4-8(9(15)6-7)12(17)16-11(13(18)19)10-2-1-5-20-10/h1-6,11H,(H,16,17)(H,18,19)
InChIKeyCHOYGKRSESOBFP-UHFFFAOYSA-N
XLogP2.58
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(2,4-difluorobenzoyl)amino]-2-thiophen-2-ylacetic 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

2-[(2,4-difluorobenzoyl)amino]-2-phenylacetic acid
CID 16771570
2-[(2-bromo-3-fluorobenzoyl)amino]-2-thiophen-2-ylacetic acid
CID 115284171
2-[(5-chloro-2-methylbenzoyl)amino]-2-thiophen-2-ylacetic acid
CID 82883193
2-[(2-fluoro-6-hydroxybenzoyl)amino]-2-thiophen-2-ylacetic acid
CID 107013766
2-[(3-bromo-4-fluorobenzoyl)amino]-2-thiophen-2-ylacetic acid
CID 107949412
2-[(3-fluoro-4-methoxybenzoyl)amino]-2-thiophen-2-ylacetic acid
CID 115283909
2-[(3,5-dibromobenzoyl)amino]-2-thiophen-2-ylacetic acid
CID 107971632
2-[(3-chloro-2-methylbenzoyl)amino]-2-thiophen-2-ylacetic acid
CID 107096030
2,4-difluoro-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide
CID 51186577
N-[2-[(2,4-difluorobenzoyl)amino]ethyl]thiophene-2-carboxamide
CID 108573971
2-[(3-methylbenzoyl)amino]-2-thiophen-2-ylacetic acid
CID 79018523
2-acetamido-2-thiophen-2-ylacetic acid;methane
CID 21485358

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-difluorobenzoyl)amino]-2-thiophen-2-ylacetic acid?
The IUPAC name of 2-[(2,4-difluorobenzoyl)amino]-2-thiophen-2-ylacetic acid (CID 115283875) is 2-[(2,4-difluorobenzoyl)amino]-2-thiophen-2-ylacetic acid.
What is the SMILES notation for 2-[(2,4-difluorobenzoyl)amino]-2-thiophen-2-ylacetic acid?
The canonical SMILES for 2-[(2,4-difluorobenzoyl)amino]-2-thiophen-2-ylacetic acid is O=C(NC(C(=O)O)c1cccs1)c1ccc(F)cc1F.
What is the InChIKey of 2-[(2,4-difluorobenzoyl)amino]-2-thiophen-2-ylacetic acid?
The InChIKey is CHOYGKRSESOBFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F2NO3S/c14-7-3-4-8(9(15)6-7)12(17)16-11(13(18)19)10-2-1-5-20-10/h1-6,11H,(H,16,17)(H,18,19).
What are the key properties of 2-[(2,4-difluorobenzoyl)amino]-2-thiophen-2-ylacetic acid?
2-[(2,4-difluorobenzoyl)amino]-2-thiophen-2-ylacetic acid has a molecular weight of 297.28 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-difluorobenzoyl)amino]-2-thiophen-2-ylacetic acid is sourced from PubChem (CID 115283875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).