2-acetamido-6-fluorobenzoic acid

C9H8FNO3 — CID 2798306

IUPAC2-acetamido-6-fluorobenzoic acid
SMILESCC(=O)Nc1cccc(F)c1C(=O)O
InChIInChI=1S/C9H8FNO3/c1-5(12)11-7-4-2-3-6(10)8(7)9(13)14/h2-4H,1H3,(H,11,12)(H,13,14)
InChIKeyIWTHKNXLQDASPO-UHFFFAOYSA-N
MW197.16 g/mol
LogP1.48
Rot. Bonds2

About 2-acetamido-6-fluorobenzoic acid

2-acetamido-6-fluorobenzoic acid (PubChem CID 2798306) has the molecular formula C9H8FNO3 and a molecular weight of 197.16 g/mol. Its IUPAC name is 2-acetamido-6-fluorobenzoic acid.

Molecular Properties

Compound Name2-acetamido-6-fluorobenzoic acid
PubChem CID2798306
Molecular FormulaC9H8FNO3
Molecular Weight197.16 g/mol
Exact Mass197.05
IUPAC Name2-acetamido-6-fluorobenzoic acid
SMILESCC(=O)Nc1cccc(F)c1C(=O)O
InChIInChI=1S/C9H8FNO3/c1-5(12)11-7-4-2-3-6(10)8(7)9(13)14/h2-4H,1H3,(H,11,12)(H,13,14)
InChIKeyIWTHKNXLQDASPO-UHFFFAOYSA-N
XLogP1.48
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.16
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-6-fluorobenzoic acid?
The IUPAC name of 2-acetamido-6-fluorobenzoic acid (CID 2798306) is 2-acetamido-6-fluorobenzoic acid.
What is the SMILES notation for 2-acetamido-6-fluorobenzoic acid?
The canonical SMILES for 2-acetamido-6-fluorobenzoic acid is CC(=O)Nc1cccc(F)c1C(=O)O.
What is the InChIKey of 2-acetamido-6-fluorobenzoic acid?
The InChIKey is IWTHKNXLQDASPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FNO3/c1-5(12)11-7-4-2-3-6(10)8(7)9(13)14/h2-4H,1H3,(H,11,12)(H,13,14).
What are the key properties of 2-acetamido-6-fluorobenzoic acid?
2-acetamido-6-fluorobenzoic acid has a molecular weight of 197.16 g/mol, XLogP of 1.48, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-6-fluorobenzoic acid is sourced from PubChem (CID 2798306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).