3-[(2-benzoylbenzoyl)amino]-4-hydroxybenzoic acid

C21H15NO5 — CID 108753900

IUPAC3-[(2-benzoylbenzoyl)amino]-4-hydroxybenzoic acid
SMILESO=C(O)c1ccc(O)c(NC(=O)c2ccccc2C(=O)c2ccccc2)c1
InChIInChI=1S/C21H15NO5/c23-18-11-10-14(21(26)27)12-17(18)22-20(25)16-9-5-4-8-15(16)19(24)13-6-2-1-3-7-13/h1-12,23H,(H,22,25)(H,26,27)
InChIKeyADOKJSBLCIKRNK-UHFFFAOYSA-N
MW361.35 g/mol
LogP3.57
Rot. Bonds5

About 3-[(2-benzoylbenzoyl)amino]-4-hydroxybenzoic acid

3-[(2-benzoylbenzoyl)amino]-4-hydroxybenzoic acid (PubChem CID 108753900) has the molecular formula C21H15NO5 and a molecular weight of 361.35 g/mol. Its IUPAC name is 3-[(2-benzoylbenzoyl)amino]-4-hydroxybenzoic acid.

Molecular Properties

Compound Name3-[(2-benzoylbenzoyl)amino]-4-hydroxybenzoic acid
PubChem CID108753900
Molecular FormulaC21H15NO5
Molecular Weight361.35 g/mol
Exact Mass361.10
IUPAC Name3-[(2-benzoylbenzoyl)amino]-4-hydroxybenzoic acid
SMILESO=C(O)c1ccc(O)c(NC(=O)c2ccccc2C(=O)c2ccccc2)c1
InChIInChI=1S/C21H15NO5/c23-18-11-10-14(21(26)27)12-17(18)22-20(25)16-9-5-4-8-15(16)19(24)13-6-2-1-3-7-13/h1-12,23H,(H,22,25)(H,26,27)
InChIKeyADOKJSBLCIKRNK-UHFFFAOYSA-N
XLogP3.57
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.35
LogP ≤ 53.57
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

4-hydroxy-3-(naphthalene-1-carbonylamino)benzoic acid
CID 108753992
3-[(2,3-dichlorobenzoyl)amino]-4-hydroxybenzoic acid
CID 107264731
3-[(2-chloropyridine-3-carbonyl)amino]-4-hydroxybenzoic acid
CID 9182555
4-hydroxy-3-[(4-hydroxy-2-methylbenzoyl)amino]benzoic acid
CID 107670939
3-[(2,4-dibromobenzoyl)amino]-4-hydroxybenzoic acid
CID 107938407
3-fluoro-4-[(2-hydroxybenzoyl)amino]benzoic acid
CID 63190129
3-amino-4-[(2-hydroxybenzoyl)amino]benzoic acid
CID 63117270
4-hydroxy-3-[(2-methylfuran-3-carbonyl)amino]benzoic acid
CID 107264605
3-[(3,5-difluorobenzoyl)amino]-4-hydroxybenzoic acid
CID 107264829
2-benzoyl-N-(2,4-dimethylphenyl)benzamide
CID 16624399
3-[(2-bromo-5-fluorobenzoyl)amino]-4-hydroxybenzoic acid
CID 107264755
3-[(4-bromo-2-chlorobenzoyl)amino]-4-hydroxybenzoic acid
CID 107264740

Frequently Asked Questions

What is the IUPAC name of 3-[(2-benzoylbenzoyl)amino]-4-hydroxybenzoic acid?
The IUPAC name of 3-[(2-benzoylbenzoyl)amino]-4-hydroxybenzoic acid (CID 108753900) is 3-[(2-benzoylbenzoyl)amino]-4-hydroxybenzoic acid.
What is the SMILES notation for 3-[(2-benzoylbenzoyl)amino]-4-hydroxybenzoic acid?
The canonical SMILES for 3-[(2-benzoylbenzoyl)amino]-4-hydroxybenzoic acid is O=C(O)c1ccc(O)c(NC(=O)c2ccccc2C(=O)c2ccccc2)c1.
What is the InChIKey of 3-[(2-benzoylbenzoyl)amino]-4-hydroxybenzoic acid?
The InChIKey is ADOKJSBLCIKRNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15NO5/c23-18-11-10-14(21(26)27)12-17(18)22-20(25)16-9-5-4-8-15(16)19(24)13-6-2-1-3-7-13/h1-12,23H,(H,22,25)(H,26,27).
What are the key properties of 3-[(2-benzoylbenzoyl)amino]-4-hydroxybenzoic acid?
3-[(2-benzoylbenzoyl)amino]-4-hydroxybenzoic acid has a molecular weight of 361.35 g/mol, XLogP of 3.57, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-benzoylbenzoyl)amino]-4-hydroxybenzoic acid is sourced from PubChem (CID 108753900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).