3-hydroxy-4-[(3-methoxybenzoyl)amino]benzoic acid

C15H13NO5 — CID 60827348

IUPAC3-hydroxy-4-[(3-methoxybenzoyl)amino]benzoic acid
SMILESCOc1cccc(C(=O)Nc2ccc(C(=O)O)cc2O)c1
InChIInChI=1S/C15H13NO5/c1-21-11-4-2-3-9(7-11)14(18)16-12-6-5-10(15(19)20)8-13(12)17/h2-8,17H,1H3,(H,16,18)(H,19,20)
InChIKeyLPMLISNJHAFSIP-UHFFFAOYSA-N
MW287.27 g/mol
LogP2.35
Rot. Bonds4

About 3-hydroxy-4-[(3-methoxybenzoyl)amino]benzoic acid

3-hydroxy-4-[(3-methoxybenzoyl)amino]benzoic acid (PubChem CID 60827348) has the molecular formula C15H13NO5 and a molecular weight of 287.27 g/mol. Its IUPAC name is 3-hydroxy-4-[(3-methoxybenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name3-hydroxy-4-[(3-methoxybenzoyl)amino]benzoic acid
PubChem CID60827348
Molecular FormulaC15H13NO5
Molecular Weight287.27 g/mol
Exact Mass287.08
IUPAC Name3-hydroxy-4-[(3-methoxybenzoyl)amino]benzoic acid
SMILESCOc1cccc(C(=O)Nc2ccc(C(=O)O)cc2O)c1
InChIInChI=1S/C15H13NO5/c1-21-11-4-2-3-9(7-11)14(18)16-12-6-5-10(15(19)20)8-13(12)17/h2-8,17H,1H3,(H,16,18)(H,19,20)
InChIKeyLPMLISNJHAFSIP-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

2-hydroxy-3-[(3-methoxybenzoyl)amino]benzoic acid
CID 104832964
4-[(2-chloro-4-methoxybenzoyl)amino]-3-hydroxybenzoic acid
CID 58230869
3-[(3,5-dimethoxybenzoyl)amino]-4-hydroxybenzoic acid
CID 108753869
2-[(3-hydroxybenzoyl)amino]-5-methoxybenzoic acid
CID 115410948
4-[(4-tert-butylbenzoyl)amino]-3-hydroxybenzoic acid
CID 108744180
N-(4-benzamido-3-methylphenyl)-3-methoxybenzamide
CID 1365764
4-methoxy-3-[(3-methoxybenzoyl)amino]-N-methylbenzamide
CID 87001832
N-(2-chloro-4-iodophenyl)-3-methoxybenzamide
CID 1371600
3-methoxy-N-(4-methyl-2-phenylphenyl)benzamide
CID 110441633
N-(2,4-dihydroxyphenyl)-4-methoxybenzamide
CID 141075428
4-[(2,6-dichlorobenzoyl)amino]-3-hydroxybenzoic acid
CID 60825182
4-[(3-bromo-4-methylbenzoyl)amino]-3-hydroxybenzoic acid
CID 81457285

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-[(3-methoxybenzoyl)amino]benzoic acid?
The IUPAC name of 3-hydroxy-4-[(3-methoxybenzoyl)amino]benzoic acid (CID 60827348) is 3-hydroxy-4-[(3-methoxybenzoyl)amino]benzoic acid.
What is the SMILES notation for 3-hydroxy-4-[(3-methoxybenzoyl)amino]benzoic acid?
The canonical SMILES for 3-hydroxy-4-[(3-methoxybenzoyl)amino]benzoic acid is COc1cccc(C(=O)Nc2ccc(C(=O)O)cc2O)c1.
What is the InChIKey of 3-hydroxy-4-[(3-methoxybenzoyl)amino]benzoic acid?
The InChIKey is LPMLISNJHAFSIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO5/c1-21-11-4-2-3-9(7-11)14(18)16-12-6-5-10(15(19)20)8-13(12)17/h2-8,17H,1H3,(H,16,18)(H,19,20).
What are the key properties of 3-hydroxy-4-[(3-methoxybenzoyl)amino]benzoic acid?
3-hydroxy-4-[(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 3-hydroxy-4-[(3-methoxybenzoyl)amino]benzoic acid is sourced from PubChem (CID 60827348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).