2-[(3-hydroxy-4-nitrobenzoyl)amino]benzoic acid

C14H10N2O6 — CID 165346961

IUPAC2-[(3-hydroxy-4-nitrobenzoyl)amino]benzoic acid
SMILESO=C(Nc1ccccc1C(=O)O)c1ccc([N+](=O)[O-])c(O)c1
InChIInChI=1S/C14H10N2O6/c17-12-7-8(5-6-11(12)16(21)22)13(18)15-10-4-2-1-3-9(10)14(19)20/h1-7,17H,(H,15,18)(H,19,20)
InChIKeyBYAWCOVWZUEBQJ-UHFFFAOYSA-N
MW302.24 g/mol
LogP2.25
Rot. Bonds4

About 2-[(3-hydroxy-4-nitrobenzoyl)amino]benzoic acid

2-[(3-hydroxy-4-nitrobenzoyl)amino]benzoic acid (PubChem CID 165346961) has the molecular formula C14H10N2O6 and a molecular weight of 302.24 g/mol. Its IUPAC name is 2-[(3-hydroxy-4-nitrobenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name2-[(3-hydroxy-4-nitrobenzoyl)amino]benzoic acid
PubChem CID165346961
Molecular FormulaC14H10N2O6
Molecular Weight302.24 g/mol
Exact Mass302.05
IUPAC Name2-[(3-hydroxy-4-nitrobenzoyl)amino]benzoic acid
SMILESO=C(Nc1ccccc1C(=O)O)c1ccc([N+](=O)[O-])c(O)c1
InChIInChI=1S/C14H10N2O6/c17-12-7-8(5-6-11(12)16(21)22)13(18)15-10-4-2-1-3-9(10)14(19)20/h1-7,17H,(H,15,18)(H,19,20)
InChIKeyBYAWCOVWZUEBQJ-UHFFFAOYSA-N
XLogP2.25
TPSA129.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.24
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-hydroxy-4-nitro-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 18204927
N-(2,5-dimethylphenyl)-3-hydroxy-4-nitrobenzamide
CID 103606052
N-(5-chloro-2-fluorophenyl)-3-hydroxy-4-nitrobenzamide
CID 102741114
N-(2-benzoylphenyl)-4-methyl-3-nitrobenzamide
CID 99997717
N-[2-(tert-butylcarbamoyl)phenyl]-3-methyl-4-nitrobenzamide
CID 17256604
ethane;2-[(4-hydroxybenzoyl)amino]benzoic acid
CID 143368686
N-(2-fluoro-5-methylphenyl)-3-hydroxy-4-nitrobenzamide
CID 103746875
N-(2-bromo-4-methylphenyl)-3-hydroxy-4-nitrobenzamide
CID 102740461
3-methyl-4-nitro-N-[2-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 1251637
3-hydroxy-N-(4-methylphenyl)-4-nitrobenzamide
CID 17411476
2-[[3-(6-nitro-1,3-dioxobenzo[de]isoquinolin-2-yl)benzoyl]amino]benzoic acid
CID 3304388
3-methyl-4-nitro-N-[2-(propylcarbamoyl)phenyl]benzamide
CID 8750889

Frequently Asked Questions

What is the IUPAC name of 2-[(3-hydroxy-4-nitrobenzoyl)amino]benzoic acid?
The IUPAC name of 2-[(3-hydroxy-4-nitrobenzoyl)amino]benzoic acid (CID 165346961) is 2-[(3-hydroxy-4-nitrobenzoyl)amino]benzoic acid.
What is the SMILES notation for 2-[(3-hydroxy-4-nitrobenzoyl)amino]benzoic acid?
The canonical SMILES for 2-[(3-hydroxy-4-nitrobenzoyl)amino]benzoic acid is O=C(Nc1ccccc1C(=O)O)c1ccc([N+](=O)[O-])c(O)c1.
What is the InChIKey of 2-[(3-hydroxy-4-nitrobenzoyl)amino]benzoic acid?
The InChIKey is BYAWCOVWZUEBQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O6/c17-12-7-8(5-6-11(12)16(21)22)13(18)15-10-4-2-1-3-9(10)14(19)20/h1-7,17H,(H,15,18)(H,19,20).
What are the key properties of 2-[(3-hydroxy-4-nitrobenzoyl)amino]benzoic acid?
2-[(3-hydroxy-4-nitrobenzoyl)amino]benzoic acid has a molecular weight of 302.24 g/mol, XLogP of 2.25, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-hydroxy-4-nitrobenzoyl)amino]benzoic acid is sourced from PubChem (CID 165346961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).