4-(4-acetylphenyl)-2-amino-6-fluorobenzoic acid

C15H12FNO3 — CID 165451215

IUPAC4-(4-acetylphenyl)-2-amino-6-fluorobenzoic acid
SMILESCC(=O)c1ccc(-c2cc(N)c(C(=O)O)c(F)c2)cc1
InChIInChI=1S/C15H12FNO3/c1-8(18)9-2-4-10(5-3-9)11-6-12(16)14(15(19)20)13(17)7-11/h2-7H,17H2,1H3,(H,19,20)
InChIKeyUEWWYAXGPNSDCP-UHFFFAOYSA-N
MW273.26 g/mol
LogP2.98
Rot. Bonds3

About 4-(4-acetylphenyl)-2-amino-6-fluorobenzoic acid

4-(4-acetylphenyl)-2-amino-6-fluorobenzoic acid (PubChem CID 165451215) has the molecular formula C15H12FNO3 and a molecular weight of 273.26 g/mol. Its IUPAC name is 4-(4-acetylphenyl)-2-amino-6-fluorobenzoic acid.

Molecular Properties

Compound Name4-(4-acetylphenyl)-2-amino-6-fluorobenzoic acid
PubChem CID165451215
Molecular FormulaC15H12FNO3
Molecular Weight273.26 g/mol
Exact Mass273.08
IUPAC Name4-(4-acetylphenyl)-2-amino-6-fluorobenzoic acid
SMILESCC(=O)c1ccc(-c2cc(N)c(C(=O)O)c(F)c2)cc1
InChIInChI=1S/C15H12FNO3/c1-8(18)9-2-4-10(5-3-9)11-6-12(16)14(15(19)20)13(17)7-11/h2-7H,17H2,1H3,(H,19,20)
InChIKeyUEWWYAXGPNSDCP-UHFFFAOYSA-N
XLogP2.98
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.26
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-acetylphenyl)-2-amino-6-fluorobenzoic acid?
The IUPAC name of 4-(4-acetylphenyl)-2-amino-6-fluorobenzoic acid (CID 165451215) is 4-(4-acetylphenyl)-2-amino-6-fluorobenzoic acid.
What is the SMILES notation for 4-(4-acetylphenyl)-2-amino-6-fluorobenzoic acid?
The canonical SMILES for 4-(4-acetylphenyl)-2-amino-6-fluorobenzoic acid is CC(=O)c1ccc(-c2cc(N)c(C(=O)O)c(F)c2)cc1.
What is the InChIKey of 4-(4-acetylphenyl)-2-amino-6-fluorobenzoic acid?
The InChIKey is UEWWYAXGPNSDCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNO3/c1-8(18)9-2-4-10(5-3-9)11-6-12(16)14(15(19)20)13(17)7-11/h2-7H,17H2,1H3,(H,19,20).
What are the key properties of 4-(4-acetylphenyl)-2-amino-6-fluorobenzoic acid?
4-(4-acetylphenyl)-2-amino-6-fluorobenzoic acid has a molecular weight of 273.26 g/mol, XLogP of 2.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetylphenyl)-2-amino-6-fluorobenzoic acid is sourced from PubChem (CID 165451215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).