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

C14H10N2O6 — CID 4982404

IUPAC5-hydroxy-2-[(4-nitrobenzoyl)amino]benzoic acid
SMILESO=C(Nc1ccc(O)cc1C(=O)O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H10N2O6/c17-10-5-6-12(11(7-10)14(19)20)15-13(18)8-1-3-9(4-2-8)16(21)22/h1-7,17H,(H,15,18)(H,19,20)
InChIKeyGBEFVUNOQWBOBJ-UHFFFAOYSA-N
MW302.24 g/mol
LogP2.25
Rot. Bonds4

About 5-hydroxy-2-[(4-nitrobenzoyl)amino]benzoic acid

5-hydroxy-2-[(4-nitrobenzoyl)amino]benzoic acid (PubChem CID 4982404) has the molecular formula C14H10N2O6 and a molecular weight of 302.24 g/mol. Its IUPAC name is 5-hydroxy-2-[(4-nitrobenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name5-hydroxy-2-[(4-nitrobenzoyl)amino]benzoic acid
PubChem CID4982404
Molecular FormulaC14H10N2O6
Molecular Weight302.24 g/mol
Exact Mass302.05
IUPAC Name5-hydroxy-2-[(4-nitrobenzoyl)amino]benzoic acid
SMILESO=C(Nc1ccc(O)cc1C(=O)O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H10N2O6/c17-10-5-6-12(11(7-10)14(19)20)15-13(18)8-1-3-9(4-2-8)16(21)22/h1-7,17H,(H,15,18)(H,19,20)
InChIKeyGBEFVUNOQWBOBJ-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': 'anthranil_acid_F(2)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(5-hydroxy-2-methylphenyl)-4-nitrobenzamide
CID 141373878
5-[[3-formyl-4-[(4-nitrobenzoyl)amino]phenyl]methyl]-2-[(4-nitrobenzoyl)amino]benzoic acid
CID 89242162
5-nitro-2-(pyrimidine-5-carbonylamino)benzoic acid
CID 102921366
5-hydroxy-2-[[2-(4-nitrophenoxy)acetyl]amino]benzoic acid
CID 759752
N-(4-hydroxy-2,3-dimethylphenyl)-4-nitrobenzamide
CID 5230659
2-methyl-3-[(4-nitrobenzoyl)amino]benzoic acid
CID 28671223
N-(4-chloro-2-fluorophenyl)-4-nitrobenzamide
CID 4173118
5-hydroxy-2-[(5-nitrothiophene-2-carbonyl)amino]benzoic acid
CID 61406295
4-hydroxybenzoic acid;4-nitrobenzoic acid
CID 174864813
2-[(2-chlorobenzoyl)amino]-5-nitrobenzoic acid
CID 16776660
3-methyl-2-[(4-nitrobenzoyl)amino]benzoic acid
CID 2866795
5-[3-carboxy-4-[(2-chloro-5-nitrobenzoyl)amino]phenyl]-2-[(2-chloro-5-nitrobenzoyl)amino]benzoic acid
CID 5121715

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-[(4-nitrobenzoyl)amino]benzoic acid?
The IUPAC name of 5-hydroxy-2-[(4-nitrobenzoyl)amino]benzoic acid (CID 4982404) is 5-hydroxy-2-[(4-nitrobenzoyl)amino]benzoic acid.
What is the SMILES notation for 5-hydroxy-2-[(4-nitrobenzoyl)amino]benzoic acid?
The canonical SMILES for 5-hydroxy-2-[(4-nitrobenzoyl)amino]benzoic acid is O=C(Nc1ccc(O)cc1C(=O)O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 5-hydroxy-2-[(4-nitrobenzoyl)amino]benzoic acid?
The InChIKey is GBEFVUNOQWBOBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O6/c17-10-5-6-12(11(7-10)14(19)20)15-13(18)8-1-3-9(4-2-8)16(21)22/h1-7,17H,(H,15,18)(H,19,20).
What are the key properties of 5-hydroxy-2-[(4-nitrobenzoyl)amino]benzoic acid?
5-hydroxy-2-[(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 5-hydroxy-2-[(4-nitrobenzoyl)amino]benzoic acid is sourced from PubChem (CID 4982404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).