2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-2-oxoacetic acid

C10H7ClFNO4 — CID 2780091

IUPAC2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-2-oxoacetic acid
SMILESO=C(Cc1c(F)cccc1Cl)NC(=O)C(=O)O
InChIInChI=1S/C10H7ClFNO4/c11-6-2-1-3-7(12)5(6)4-8(14)13-9(15)10(16)17/h1-3H,4H2,(H,16,17)(H,13,14,15)
InChIKeyYYYYOPOZEYNQMA-UHFFFAOYSA-N
MW259.62 g/mol
LogP0.75
Rot. Bonds2

About 2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-2-oxoacetic acid

2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-2-oxoacetic acid (PubChem CID 2780091) has the molecular formula C10H7ClFNO4 and a molecular weight of 259.62 g/mol. Its IUPAC name is 2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-2-oxoacetic acid.

Molecular Properties

Compound Name2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-2-oxoacetic acid
PubChem CID2780091
Molecular FormulaC10H7ClFNO4
Molecular Weight259.62 g/mol
Exact Mass259.00
IUPAC Name2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-2-oxoacetic acid
SMILESO=C(Cc1c(F)cccc1Cl)NC(=O)C(=O)O
InChIInChI=1S/C10H7ClFNO4/c11-6-2-1-3-7(12)5(6)4-8(14)13-9(15)10(16)17/h1-3H,4H2,(H,16,17)(H,13,14,15)
InChIKeyYYYYOPOZEYNQMA-UHFFFAOYSA-N
XLogP0.75
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.62
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-(2-chloro-6-fluorophenyl)-N-(4-chlorophenyl)acetamide
CID 9413330
N'-acetyl-2-(2-chloro-6-fluorophenyl)acetohydrazide
CID 30905798
N'-[2-(2-chloro-6-fluorophenyl)acetyl]benzohydrazide
CID 4811592
2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]butanedioic acid
CID 78910306
N-(4-chlorocyclohexyl)-2-(2-chloro-6-fluorophenyl)acetamide
CID 114297195
2-(2-chloro-6-fluorophenyl)-N-(4-hydroxyphenyl)acetamide
CID 28831544
2-(2-chloro-6-fluorophenyl)-N-[(1R)-1-phenylethyl]acetamide
CID 839132
N-(2-bromoprop-2-enyl)-2-(2-chloro-6-fluorophenyl)acetamide
CID 115594615
2-(2-chloro-6-fluorophenyl)-N-cyclohexylacetamide
CID 974091
N-(2-amino-2-methylpropyl)-2-(2-chloro-6-fluorophenyl)acetamide
CID 81483240
2-(2-chloro-6-fluorophenyl)-N-(3-chloro-4-fluorophenyl)acetamide
CID 9165979
2-(2-chloro-6-fluorophenyl)-N-(2,5-dichlorophenyl)acetamide
CID 7899933

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-2-oxoacetic acid?
The IUPAC name of 2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-2-oxoacetic acid (CID 2780091) is 2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-2-oxoacetic acid.
What is the SMILES notation for 2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-2-oxoacetic acid?
The canonical SMILES for 2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-2-oxoacetic acid is O=C(Cc1c(F)cccc1Cl)NC(=O)C(=O)O.
What is the InChIKey of 2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-2-oxoacetic acid?
The InChIKey is YYYYOPOZEYNQMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClFNO4/c11-6-2-1-3-7(12)5(6)4-8(14)13-9(15)10(16)17/h1-3H,4H2,(H,16,17)(H,13,14,15).
What are the key properties of 2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-2-oxoacetic acid?
2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-2-oxoacetic acid has a molecular weight of 259.62 g/mol, XLogP of 0.75, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-2-oxoacetic acid is sourced from PubChem (CID 2780091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).