5-acetamido-2-fluorobenzoic acid

C9H8FNO3 — CID 19261749

IUPAC5-acetamido-2-fluorobenzoic acid
SMILESCC(=O)Nc1ccc(F)c(C(=O)O)c1
InChIInChI=1S/C9H8FNO3/c1-5(12)11-6-2-3-8(10)7(4-6)9(13)14/h2-4H,1H3,(H,11,12)(H,13,14)
InChIKeyHGFZDZZEWWPKIB-UHFFFAOYSA-N
MW197.16 g/mol
LogP1.48
Rot. Bonds2

About 5-acetamido-2-fluorobenzoic acid

5-acetamido-2-fluorobenzoic acid (PubChem CID 19261749) has the molecular formula C9H8FNO3 and a molecular weight of 197.16 g/mol. Its IUPAC name is 5-acetamido-2-fluorobenzoic acid.

Molecular Properties

Compound Name5-acetamido-2-fluorobenzoic acid
PubChem CID19261749
Molecular FormulaC9H8FNO3
Molecular Weight197.16 g/mol
Exact Mass197.05
IUPAC Name5-acetamido-2-fluorobenzoic acid
SMILESCC(=O)Nc1ccc(F)c(C(=O)O)c1
InChIInChI=1S/C9H8FNO3/c1-5(12)11-6-2-3-8(10)7(4-6)9(13)14/h2-4H,1H3,(H,11,12)(H,13,14)
InChIKeyHGFZDZZEWWPKIB-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 5-acetamido-2-fluorobenzoic acid?
The IUPAC name of 5-acetamido-2-fluorobenzoic acid (CID 19261749) is 5-acetamido-2-fluorobenzoic acid.
What is the SMILES notation for 5-acetamido-2-fluorobenzoic acid?
The canonical SMILES for 5-acetamido-2-fluorobenzoic acid is CC(=O)Nc1ccc(F)c(C(=O)O)c1.
What is the InChIKey of 5-acetamido-2-fluorobenzoic acid?
The InChIKey is HGFZDZZEWWPKIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FNO3/c1-5(12)11-6-2-3-8(10)7(4-6)9(13)14/h2-4H,1H3,(H,11,12)(H,13,14).
What are the key properties of 5-acetamido-2-fluorobenzoic acid?
5-acetamido-2-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 5-acetamido-2-fluorobenzoic acid is sourced from PubChem (CID 19261749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).