2-(N-acetyl-2-fluoroanilino)acetic acid

C10H10FNO3 — CID 28765395

IUPAC2-(N-acetyl-2-fluoroanilino)acetic acid
SMILESCC(=O)N(CC(=O)O)c1ccccc1F
InChIInChI=1S/C10H10FNO3/c1-7(13)12(6-10(14)15)9-5-3-2-4-8(9)11/h2-5H,6H2,1H3,(H,14,15)
InChIKeyLTIZLZSPRFUFSD-UHFFFAOYSA-N
MW211.19 g/mol
LogP1.26
Rot. Bonds3

About 2-(N-acetyl-2-fluoroanilino)acetic acid

2-(N-acetyl-2-fluoroanilino)acetic acid (PubChem CID 28765395) has the molecular formula C10H10FNO3 and a molecular weight of 211.19 g/mol. Its IUPAC name is 2-(N-acetyl-2-fluoroanilino)acetic acid.

Molecular Properties

Compound Name2-(N-acetyl-2-fluoroanilino)acetic acid
PubChem CID28765395
Molecular FormulaC10H10FNO3
Molecular Weight211.19 g/mol
Exact Mass211.06
IUPAC Name2-(N-acetyl-2-fluoroanilino)acetic acid
SMILESCC(=O)N(CC(=O)O)c1ccccc1F
InChIInChI=1S/C10H10FNO3/c1-7(13)12(6-10(14)15)9-5-3-2-4-8(9)11/h2-5H,6H2,1H3,(H,14,15)
InChIKeyLTIZLZSPRFUFSD-UHFFFAOYSA-N
XLogP1.26
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.19
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-2-fluoroanilino)acetic acid?
The IUPAC name of 2-(N-acetyl-2-fluoroanilino)acetic acid (CID 28765395) is 2-(N-acetyl-2-fluoroanilino)acetic acid.
What is the SMILES notation for 2-(N-acetyl-2-fluoroanilino)acetic acid?
The canonical SMILES for 2-(N-acetyl-2-fluoroanilino)acetic acid is CC(=O)N(CC(=O)O)c1ccccc1F.
What is the InChIKey of 2-(N-acetyl-2-fluoroanilino)acetic acid?
The InChIKey is LTIZLZSPRFUFSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO3/c1-7(13)12(6-10(14)15)9-5-3-2-4-8(9)11/h2-5H,6H2,1H3,(H,14,15).
What are the key properties of 2-(N-acetyl-2-fluoroanilino)acetic acid?
2-(N-acetyl-2-fluoroanilino)acetic acid has a molecular weight of 211.19 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-2-fluoroanilino)acetic acid is sourced from PubChem (CID 28765395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).