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

C13H9N3O6 — CID 18931505

IUPAC2-hydroxy-4-nitro-N-(4-nitrophenyl)benzamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1O
InChIInChI=1S/C13H9N3O6/c17-12-7-10(16(21)22)5-6-11(12)13(18)14-8-1-3-9(4-2-8)15(19)20/h1-7,17H,(H,14,18)
InChIKeySZSZELGAXPUXGX-UHFFFAOYSA-N
MW303.23 g/mol
LogP2.46
Rot. Bonds4

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

2-hydroxy-4-nitro-N-(4-nitrophenyl)benzamide (PubChem CID 18931505) has the molecular formula C13H9N3O6 and a molecular weight of 303.23 g/mol. Its IUPAC name is 2-hydroxy-4-nitro-N-(4-nitrophenyl)benzamide.

Molecular Properties

Compound Name2-hydroxy-4-nitro-N-(4-nitrophenyl)benzamide
PubChem CID18931505
Molecular FormulaC13H9N3O6
Molecular Weight303.23 g/mol
Exact Mass303.05
IUPAC Name2-hydroxy-4-nitro-N-(4-nitrophenyl)benzamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1O
InChIInChI=1S/C13H9N3O6/c17-12-7-10(16(21)22)5-6-11(12)13(18)14-8-1-3-9(4-2-8)15(19)20/h1-7,17H,(H,14,18)
InChIKeySZSZELGAXPUXGX-UHFFFAOYSA-N
XLogP2.46
TPSA135.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.23
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

3,4,5-trihydroxy-N-(4-nitrophenyl)benzamide
CID 10541486
4-bromo-2-hydroxy-N-(2-hydroxy-4-nitrophenyl)benzamide
CID 107745262
2-hydroxy-5-methoxy-N-(4-nitrophenyl)benzamide
CID 10968180
3,5-dichloro-2-hydroxy-N-(4-nitrophenyl)benzamide
CID 3271615
1-hydroxy-N-(4-nitrophenyl)naphthalene-2-carboxamide
CID 3352872
2-bromo-4-fluoro-N-(4-nitrophenyl)benzamide
CID 18197888
2-chloro-4-nitro-N-(4-sulfamoylphenyl)benzamide
CID 1350235
2-amino-5-fluoro-N-(4-nitrophenyl)benzamide
CID 43245709
N-(4-chlorophenyl)-2-fluoro-5-nitrobenzamide
CID 43377429
2-iodo-N-(4-iodophenyl)-5-nitrobenzamide
CID 38888111
5-nitro-N-(4-nitrophenyl)-2-propan-2-yloxybenzamide
CID 139678197
2-chloro-N-[4-[[4-[(2-chloro-4-nitrobenzoyl)amino]phenyl]methyl]phenyl]-4-nitrobenzamide
CID 5192048

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-nitro-N-(4-nitrophenyl)benzamide?
The IUPAC name of 2-hydroxy-4-nitro-N-(4-nitrophenyl)benzamide (CID 18931505) is 2-hydroxy-4-nitro-N-(4-nitrophenyl)benzamide.
What is the SMILES notation for 2-hydroxy-4-nitro-N-(4-nitrophenyl)benzamide?
The canonical SMILES for 2-hydroxy-4-nitro-N-(4-nitrophenyl)benzamide is O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1O.
What is the InChIKey of 2-hydroxy-4-nitro-N-(4-nitrophenyl)benzamide?
The InChIKey is SZSZELGAXPUXGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O6/c17-12-7-10(16(21)22)5-6-11(12)13(18)14-8-1-3-9(4-2-8)15(19)20/h1-7,17H,(H,14,18).
What are the key properties of 2-hydroxy-4-nitro-N-(4-nitrophenyl)benzamide?
2-hydroxy-4-nitro-N-(4-nitrophenyl)benzamide has a molecular weight of 303.23 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-nitro-N-(4-nitrophenyl)benzamide is sourced from PubChem (CID 18931505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).