2-amino-4-(3-fluoro-4-methoxyphenyl)benzoic acid

C14H12FNO3 — CID 82573151

IUPAC2-amino-4-(3-fluoro-4-methoxyphenyl)benzoic acid
SMILESCOc1ccc(-c2ccc(C(=O)O)c(N)c2)cc1F
InChIInChI=1S/C14H12FNO3/c1-19-13-5-3-8(6-11(13)15)9-2-4-10(14(17)18)12(16)7-9/h2-7H,16H2,1H3,(H,17,18)
InChIKeyYOGZJACBDARHGG-UHFFFAOYSA-N
MW261.25 g/mol
LogP2.78
Rot. Bonds3

About 2-amino-4-(3-fluoro-4-methoxyphenyl)benzoic acid

2-amino-4-(3-fluoro-4-methoxyphenyl)benzoic acid (PubChem CID 82573151) has the molecular formula C14H12FNO3 and a molecular weight of 261.25 g/mol. Its IUPAC name is 2-amino-4-(3-fluoro-4-methoxyphenyl)benzoic acid.

Molecular Properties

Compound Name2-amino-4-(3-fluoro-4-methoxyphenyl)benzoic acid
PubChem CID82573151
Molecular FormulaC14H12FNO3
Molecular Weight261.25 g/mol
Exact Mass261.08
IUPAC Name2-amino-4-(3-fluoro-4-methoxyphenyl)benzoic acid
SMILESCOc1ccc(-c2ccc(C(=O)O)c(N)c2)cc1F
InChIInChI=1S/C14H12FNO3/c1-19-13-5-3-8(6-11(13)15)9-2-4-10(14(17)18)12(16)7-9/h2-7H,16H2,1H3,(H,17,18)
InChIKeyYOGZJACBDARHGG-UHFFFAOYSA-N
XLogP2.78
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 52.78
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 2-amino-4-(3-fluoro-4-methoxyphenyl)benzoic acid?
The IUPAC name of 2-amino-4-(3-fluoro-4-methoxyphenyl)benzoic acid (CID 82573151) is 2-amino-4-(3-fluoro-4-methoxyphenyl)benzoic acid.
What is the SMILES notation for 2-amino-4-(3-fluoro-4-methoxyphenyl)benzoic acid?
The canonical SMILES for 2-amino-4-(3-fluoro-4-methoxyphenyl)benzoic acid is COc1ccc(-c2ccc(C(=O)O)c(N)c2)cc1F.
What is the InChIKey of 2-amino-4-(3-fluoro-4-methoxyphenyl)benzoic acid?
The InChIKey is YOGZJACBDARHGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO3/c1-19-13-5-3-8(6-11(13)15)9-2-4-10(14(17)18)12(16)7-9/h2-7H,16H2,1H3,(H,17,18).
What are the key properties of 2-amino-4-(3-fluoro-4-methoxyphenyl)benzoic acid?
2-amino-4-(3-fluoro-4-methoxyphenyl)benzoic acid has a molecular weight of 261.25 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(3-fluoro-4-methoxyphenyl)benzoic acid is sourced from PubChem (CID 82573151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).