2-hydroxy-N-(2-hydroxy-4-nitrophenyl)benzamide

C13H10N2O5 — CID 15717694

IUPAC2-hydroxy-N-(2-hydroxy-4-nitrophenyl)benzamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1O)c1ccccc1O
InChIInChI=1S/C13H10N2O5/c16-11-4-2-1-3-9(11)13(18)14-10-6-5-8(15(19)20)7-12(10)17/h1-7,16-17H,(H,14,18)
InChIKeyJDONHMOMQILGDY-UHFFFAOYSA-N
MW274.23 g/mol
LogP2.26
Rot. Bonds3

About 2-hydroxy-N-(2-hydroxy-4-nitrophenyl)benzamide

2-hydroxy-N-(2-hydroxy-4-nitrophenyl)benzamide (PubChem CID 15717694) has the molecular formula C13H10N2O5 and a molecular weight of 274.23 g/mol. Its IUPAC name is 2-hydroxy-N-(2-hydroxy-4-nitrophenyl)benzamide.

Molecular Properties

Compound Name2-hydroxy-N-(2-hydroxy-4-nitrophenyl)benzamide
PubChem CID15717694
Molecular FormulaC13H10N2O5
Molecular Weight274.23 g/mol
Exact Mass274.06
IUPAC Name2-hydroxy-N-(2-hydroxy-4-nitrophenyl)benzamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1O)c1ccccc1O
InChIInChI=1S/C13H10N2O5/c16-11-4-2-1-3-9(11)13(18)14-10-6-5-8(15(19)20)7-12(10)17/h1-7,16-17H,(H,14,18)
InChIKeyJDONHMOMQILGDY-UHFFFAOYSA-N
XLogP2.26
TPSA112.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.23
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-(2-hydroxy-4-nitrophenyl)benzamide?
The IUPAC name of 2-hydroxy-N-(2-hydroxy-4-nitrophenyl)benzamide (CID 15717694) is 2-hydroxy-N-(2-hydroxy-4-nitrophenyl)benzamide.
What is the SMILES notation for 2-hydroxy-N-(2-hydroxy-4-nitrophenyl)benzamide?
The canonical SMILES for 2-hydroxy-N-(2-hydroxy-4-nitrophenyl)benzamide is O=C(Nc1ccc([N+](=O)[O-])cc1O)c1ccccc1O.
What is the InChIKey of 2-hydroxy-N-(2-hydroxy-4-nitrophenyl)benzamide?
The InChIKey is JDONHMOMQILGDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O5/c16-11-4-2-1-3-9(11)13(18)14-10-6-5-8(15(19)20)7-12(10)17/h1-7,16-17H,(H,14,18).
What are the key properties of 2-hydroxy-N-(2-hydroxy-4-nitrophenyl)benzamide?
2-hydroxy-N-(2-hydroxy-4-nitrophenyl)benzamide has a molecular weight of 274.23 g/mol, XLogP of 2.26, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-(2-hydroxy-4-nitrophenyl)benzamide is sourced from PubChem (CID 15717694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).