2-amino-6-(2-ethoxyphenoxy)-3-fluorobenzoic acid

C15H14FNO4 — CID 83206714

IUPAC2-amino-6-(2-ethoxyphenoxy)-3-fluorobenzoic acid
SMILESCCOc1ccccc1Oc1ccc(F)c(N)c1C(=O)O
InChIInChI=1S/C15H14FNO4/c1-2-20-10-5-3-4-6-11(10)21-12-8-7-9(16)14(17)13(12)15(18)19/h3-8H,2,17H2,1H3,(H,18,19)
InChIKeyZWRYHICZQZFBQA-UHFFFAOYSA-N
MW291.28 g/mol
LogP3.30
Rot. Bonds5

About 2-amino-6-(2-ethoxyphenoxy)-3-fluorobenzoic acid

2-amino-6-(2-ethoxyphenoxy)-3-fluorobenzoic acid (PubChem CID 83206714) has the molecular formula C15H14FNO4 and a molecular weight of 291.28 g/mol. Its IUPAC name is 2-amino-6-(2-ethoxyphenoxy)-3-fluorobenzoic acid.

Molecular Properties

Compound Name2-amino-6-(2-ethoxyphenoxy)-3-fluorobenzoic acid
PubChem CID83206714
Molecular FormulaC15H14FNO4
Molecular Weight291.28 g/mol
Exact Mass291.09
IUPAC Name2-amino-6-(2-ethoxyphenoxy)-3-fluorobenzoic acid
SMILESCCOc1ccccc1Oc1ccc(F)c(N)c1C(=O)O
InChIInChI=1S/C15H14FNO4/c1-2-20-10-5-3-4-6-11(10)21-12-8-7-9(16)14(17)13(12)15(18)19/h3-8H,2,17H2,1H3,(H,18,19)
InChIKeyZWRYHICZQZFBQA-UHFFFAOYSA-N
XLogP3.30
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.28
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-fluoro-6-(2-methylsulfanylphenoxy)benzoic acid
CID 83215087
2-amino-3-fluoro-6-(2-iodophenoxy)benzoic acid
CID 83215477
2-amino-6-(2,3-dichlorophenoxy)-3-fluorobenzoic acid
CID 83214912
4-(2-ethoxyphenoxy)-3-methylbenzoic acid
CID 62121144
2-amino-6-cyclobutyloxy-3-fluorobenzoic acid
CID 83215642
3-bromo-4-(2-ethoxyphenoxy)benzoic acid
CID 82800711
3-chloro-4-(2-ethoxyphenoxy)benzoic acid
CID 63089145
[4-(2-ethoxyphenoxy)-3-fluorophenyl]methanamine
CID 28966043
2-amino-6-(4-chloro-3-methylphenoxy)-3-fluorobenzoic acid
CID 83214998
2-amino-6-[(4-bromophenyl)methoxy]-3-fluorobenzoic acid
CID 83215251
4-(2-ethoxyphenoxy)-5-fluoro-2-methoxyaniline
CID 107259770
2-[4-(2-ethoxyphenoxy)-3-fluorophenyl]ethanamine
CID 63817515

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(2-ethoxyphenoxy)-3-fluorobenzoic acid?
The IUPAC name of 2-amino-6-(2-ethoxyphenoxy)-3-fluorobenzoic acid (CID 83206714) is 2-amino-6-(2-ethoxyphenoxy)-3-fluorobenzoic acid.
What is the SMILES notation for 2-amino-6-(2-ethoxyphenoxy)-3-fluorobenzoic acid?
The canonical SMILES for 2-amino-6-(2-ethoxyphenoxy)-3-fluorobenzoic acid is CCOc1ccccc1Oc1ccc(F)c(N)c1C(=O)O.
What is the InChIKey of 2-amino-6-(2-ethoxyphenoxy)-3-fluorobenzoic acid?
The InChIKey is ZWRYHICZQZFBQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO4/c1-2-20-10-5-3-4-6-11(10)21-12-8-7-9(16)14(17)13(12)15(18)19/h3-8H,2,17H2,1H3,(H,18,19).
What are the key properties of 2-amino-6-(2-ethoxyphenoxy)-3-fluorobenzoic acid?
2-amino-6-(2-ethoxyphenoxy)-3-fluorobenzoic acid has a molecular weight of 291.28 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(2-ethoxyphenoxy)-3-fluorobenzoic acid is sourced from PubChem (CID 83206714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).