2-(2-ethoxyanilino)benzoic acid

C15H15NO3 — CID 726510

IUPAC2-(2-ethoxyanilino)benzoic acid
SMILESCCOc1ccccc1Nc1ccccc1C(=O)O
InChIInChI=1S/C15H15NO3/c1-2-19-14-10-6-5-9-13(14)16-12-8-4-3-7-11(12)15(17)18/h3-10,16H,2H2,1H3,(H,17,18)
InChIKeyZQDWUQRBJOUBFX-UHFFFAOYSA-N
MW257.29 g/mol
LogP3.53
Rot. Bonds5

About 2-(2-ethoxyanilino)benzoic acid

2-(2-ethoxyanilino)benzoic acid (PubChem CID 726510) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-(2-ethoxyanilino)benzoic acid.

Molecular Properties

Compound Name2-(2-ethoxyanilino)benzoic acid
PubChem CID726510
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name2-(2-ethoxyanilino)benzoic acid
SMILESCCOc1ccccc1Nc1ccccc1C(=O)O
InChIInChI=1S/C15H15NO3/c1-2-19-14-10-6-5-9-13(14)16-12-8-4-3-7-11(12)15(17)18/h3-10,16H,2H2,1H3,(H,17,18)
InChIKeyZQDWUQRBJOUBFX-UHFFFAOYSA-N
XLogP3.53
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxybenzoic acid;zinc
CID 172723273
2-(4-ethoxyanilino)benzoic acid
CID 15247418
potassium;2-ethoxybenzoic acid;hydride
CID 175278645
2-(2-carboxyanilino)benzoic acid;methylsulfanylmethane
CID 144550401
3-(2-ethoxyphenyl)-3-oxopropanoic acid
CID 170886850
5-(2-ethoxyanilino)-1,3-thiazole-4-carboxylic acid
CID 64630275
methyl 2-[[6-(2-ethoxyanilino)pyrimidin-4-yl]amino]benzoate
CID 112866294
2-[4-(2-ethoxyanilino)anilino]phenol
CID 139619306
2-[[3-[(2-ethoxybenzoyl)amino]benzoyl]amino]benzoic acid
CID 2204072
N-(2-ethoxyphenyl)-2-(2-methoxyethoxy)benzamide
CID 15943045
2-ethoxy-N-[2-(2-phenoxyethoxy)phenyl]benzamide
CID 17130918
3-ethoxy-2-hydroxybenzoic acid
CID 13026922

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyanilino)benzoic acid?
The IUPAC name of 2-(2-ethoxyanilino)benzoic acid (CID 726510) is 2-(2-ethoxyanilino)benzoic acid.
What is the SMILES notation for 2-(2-ethoxyanilino)benzoic acid?
The canonical SMILES for 2-(2-ethoxyanilino)benzoic acid is CCOc1ccccc1Nc1ccccc1C(=O)O.
What is the InChIKey of 2-(2-ethoxyanilino)benzoic acid?
The InChIKey is ZQDWUQRBJOUBFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-2-19-14-10-6-5-9-13(14)16-12-8-4-3-7-11(12)15(17)18/h3-10,16H,2H2,1H3,(H,17,18).
What are the key properties of 2-(2-ethoxyanilino)benzoic acid?
2-(2-ethoxyanilino)benzoic acid has a molecular weight of 257.29 g/mol, XLogP of 3.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyanilino)benzoic acid is sourced from PubChem (CID 726510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).