2-hydroxy-3-[(3-methoxybenzoyl)amino]benzoic acid

C15H13NO5 — CID 104832964

IUPAC2-hydroxy-3-[(3-methoxybenzoyl)amino]benzoic acid
SMILESCOc1cccc(C(=O)Nc2cccc(C(=O)O)c2O)c1
InChIInChI=1S/C15H13NO5/c1-21-10-5-2-4-9(8-10)14(18)16-12-7-3-6-11(13(12)17)15(19)20/h2-8,17H,1H3,(H,16,18)(H,19,20)
InChIKeyFXARRRLYWKXZEC-UHFFFAOYSA-N
MW287.27 g/mol
LogP2.35
Rot. Bonds4

About 2-hydroxy-3-[(3-methoxybenzoyl)amino]benzoic acid

2-hydroxy-3-[(3-methoxybenzoyl)amino]benzoic acid (PubChem CID 104832964) has the molecular formula C15H13NO5 and a molecular weight of 287.27 g/mol. Its IUPAC name is 2-hydroxy-3-[(3-methoxybenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name2-hydroxy-3-[(3-methoxybenzoyl)amino]benzoic acid
PubChem CID104832964
Molecular FormulaC15H13NO5
Molecular Weight287.27 g/mol
Exact Mass287.08
IUPAC Name2-hydroxy-3-[(3-methoxybenzoyl)amino]benzoic acid
SMILESCOc1cccc(C(=O)Nc2cccc(C(=O)O)c2O)c1
InChIInChI=1S/C15H13NO5/c1-21-10-5-2-4-9(8-10)14(18)16-12-7-3-6-11(13(12)17)15(19)20/h2-8,17H,1H3,(H,16,18)(H,19,20)
InChIKeyFXARRRLYWKXZEC-UHFFFAOYSA-N
XLogP2.35
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.27
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-hydroxy-4-[(3-methoxybenzoyl)amino]benzoic acid
CID 60827348
2-[(3-hydroxybenzoyl)amino]-5-methoxybenzoic acid
CID 115410948
2-[(3-methoxybenzoyl)amino]-N-(3-methoxyphenyl)benzamide
CID 51154923
3-chloro-2-[(3-methoxybenzoyl)amino]benzoic acid
CID 107046812
N-butan-2-yl-2-[(3-methoxybenzoyl)amino]benzamide
CID 17417921
N-(4-fluorophenyl)-2-[(3-methoxybenzoyl)amino]benzamide
CID 1228531
3-methoxy-N-[2-[1-(methylamino)ethyl]phenyl]benzamide
CID 43507956
2-fluoro-4-[(3-methoxybenzoyl)amino]benzoic acid
CID 103791449
methyl 3-[(3-cyanobenzoyl)amino]-2-hydroxybenzoate
CID 108745882
N-[2-(methanesulfonamido)phenyl]-3-methoxybenzamide
CID 35368167
2-[(4-methoxybenzoyl)amino]benzoic acid
CID 721421
[2-(3-methoxyphenyl)-2-oxoethyl] 2-benzamidobenzoate
CID 1217734

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-[(3-methoxybenzoyl)amino]benzoic acid?
The IUPAC name of 2-hydroxy-3-[(3-methoxybenzoyl)amino]benzoic acid (CID 104832964) is 2-hydroxy-3-[(3-methoxybenzoyl)amino]benzoic acid.
What is the SMILES notation for 2-hydroxy-3-[(3-methoxybenzoyl)amino]benzoic acid?
The canonical SMILES for 2-hydroxy-3-[(3-methoxybenzoyl)amino]benzoic acid is COc1cccc(C(=O)Nc2cccc(C(=O)O)c2O)c1.
What is the InChIKey of 2-hydroxy-3-[(3-methoxybenzoyl)amino]benzoic acid?
The InChIKey is FXARRRLYWKXZEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO5/c1-21-10-5-2-4-9(8-10)14(18)16-12-7-3-6-11(13(12)17)15(19)20/h2-8,17H,1H3,(H,16,18)(H,19,20).
What are the key properties of 2-hydroxy-3-[(3-methoxybenzoyl)amino]benzoic acid?
2-hydroxy-3-[(3-methoxybenzoyl)amino]benzoic acid has a molecular weight of 287.27 g/mol, XLogP of 2.35, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-[(3-methoxybenzoyl)amino]benzoic acid is sourced from PubChem (CID 104832964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).