3-(4-methoxyanilino)benzoic acid

C14H13NO3 — CID 11425050

IUPAC3-(4-methoxyanilino)benzoic acid
SMILESCOc1ccc(Nc2cccc(C(=O)O)c2)cc1
InChIInChI=1S/C14H13NO3/c1-18-13-7-5-11(6-8-13)15-12-4-2-3-10(9-12)14(16)17/h2-9,15H,1H3,(H,16,17)
InChIKeyRAYGAWWVJQZVJA-UHFFFAOYSA-N
MW243.26 g/mol
LogP3.14
Rot. Bonds4

About 3-(4-methoxyanilino)benzoic acid

3-(4-methoxyanilino)benzoic acid (PubChem CID 11425050) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is 3-(4-methoxyanilino)benzoic acid.

Molecular Properties

Compound Name3-(4-methoxyanilino)benzoic acid
PubChem CID11425050
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Name3-(4-methoxyanilino)benzoic acid
SMILESCOc1ccc(Nc2cccc(C(=O)O)c2)cc1
InChIInChI=1S/C14H13NO3/c1-18-13-7-5-11(6-8-13)15-12-4-2-3-10(9-12)14(16)17/h2-9,15H,1H3,(H,16,17)
InChIKeyRAYGAWWVJQZVJA-UHFFFAOYSA-N
XLogP3.14
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(4-methoxyanilino)benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Acetaminosalol
CID 1984
Anthranilic acid, N-(3-methoxyphenyl)-
CID 119702
2-[(4-Methoxyphenyl)amino]benzoic acid
CID 202918
4-Methoxy-N-(4-methoxyphenyl)benzamide
CID 346815
N-(4-methoxyphenyl)-4-methylbenzamide
CID 531829
2-(2-Methoxyphenylamino)benzoic acid
CID 202774
2-((4-Phenoxyanilino)carbonyl)benzoic acid
CID 736198
4'-Methoxy-3-nitrobenzanilide
CID 306529
N-(4-Methoxyphenyl)benzoic acid amide
CID 139031
4-Methoxy-N-(3-methylphenyl)benzamide
CID 346046
Benzamide, N-(4-ethoxyphenyl)-
CID 203878
N-(4-Methoxyphenyl)-2-hydroxybenzamide
CID 478806

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyanilino)benzoic acid?
The IUPAC name of 3-(4-methoxyanilino)benzoic acid (CID 11425050) is 3-(4-methoxyanilino)benzoic acid.
What is the SMILES notation for 3-(4-methoxyanilino)benzoic acid?
The canonical SMILES for 3-(4-methoxyanilino)benzoic acid is COc1ccc(Nc2cccc(C(=O)O)c2)cc1.
What is the InChIKey of 3-(4-methoxyanilino)benzoic acid?
The InChIKey is RAYGAWWVJQZVJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3/c1-18-13-7-5-11(6-8-13)15-12-4-2-3-10(9-12)14(16)17/h2-9,15H,1H3,(H,16,17).
What are the key properties of 3-(4-methoxyanilino)benzoic acid?
3-(4-methoxyanilino)benzoic acid has a molecular weight of 243.26 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyanilino)benzoic acid is sourced from PubChem (CID 11425050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).