2-(2,3-dimethylanilino)benzoic acid

C15H15NO2 — CID 4044

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IUPAC2-(2,3-dimethylanilino)benzoic acid
SMILESCc1cccc(Nc2ccccc2C(=O)O)c1C
InChIInChI=1S/C15H15NO2/c1-10-6-5-9-13(11(10)2)16-14-8-4-3-7-12(14)15(17)18/h3-9,16H,1-2H3,(H,17,18)
InChIKeyHYYBABOKPJLUIN-UHFFFAOYSA-N
MW241.29 g/mol
LogP3.75
Rot. Bonds3

About 2-(2,3-dimethylanilino)benzoic acid

2-(2,3-dimethylanilino)benzoic acid (PubChem CID 4044) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-(2,3-dimethylanilino)benzoic acid.

Molecular Properties

Compound Name2-(2,3-dimethylanilino)benzoic acid
PubChem CID4044
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name2-(2,3-dimethylanilino)benzoic acid
SMILESCc1cccc(Nc2ccccc2C(=O)O)c1C
InChIInChI=1S/C15H15NO2/c1-10-6-5-9-13(11(10)2)16-14-8-4-3-7-12(14)15(17)18/h3-9,16H,1-2H3,(H,17,18)
InChIKeyHYYBABOKPJLUIN-UHFFFAOYSA-N
XLogP3.75
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Flufenamic Acid
CID 3371
Tolfenamic Acid
CID 610479
N-Phenylanthranilic Acid
CID 4386
Naptalam
CID 8594
Enfenamic Acid
CID 31635
N-acetylanthranilic acid
CID 6971
N-Methylanthranilic acid
CID 67069
Phthalanilic acid
CID 78458
Formylanthranilic acid
CID 101399
N-(2-carboxyphenyl)glycine
CID 69161
2-((4-(Dimethylamino)phenyl)diazenyl)benzoic acid
CID 10303
N-Benzoylanthranilate
CID 5091716

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylanilino)benzoic acid?
The IUPAC name of 2-(2,3-dimethylanilino)benzoic acid (CID 4044) is 2-(2,3-dimethylanilino)benzoic acid.
What is the SMILES notation for 2-(2,3-dimethylanilino)benzoic acid?
The canonical SMILES for 2-(2,3-dimethylanilino)benzoic acid is Cc1cccc(Nc2ccccc2C(=O)O)c1C.
What is the InChIKey of 2-(2,3-dimethylanilino)benzoic acid?
The InChIKey is HYYBABOKPJLUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c1-10-6-5-9-13(11(10)2)16-14-8-4-3-7-12(14)15(17)18/h3-9,16H,1-2H3,(H,17,18).
What are the key properties of 2-(2,3-dimethylanilino)benzoic acid?
2-(2,3-dimethylanilino)benzoic acid has a molecular weight of 241.29 g/mol, XLogP of 3.75, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylanilino)benzoic acid is sourced from PubChem (CID 4044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).