2-hydroxy-3-nitro-N-phenylbenzamide;2-hydroxy-N-phenylbenzamide

C26H21N3O6 — CID 157455214

IUPAC2-hydroxy-3-nitro-N-phenylbenzamide;2-hydroxy-N-phenylbenzamide
SMILESO=C(Nc1ccccc1)c1cccc([N+](=O)[O-])c1O.O=C(Nc1ccccc1)c1ccccc1O
InChIInChI=1S/C13H10N2O4.C13H11NO2/c16-12-10(7-4-8-11(12)15(18)19)13(17)14-9-5-2-1-3-6-9;15-12-9-5-4-8-11(12)13(16)14-10-6-2-1-3-7-10/h1-8,16H,(H,14,17);1-9,15H,(H,14,16)
InChIKeyBTGRZTQDYYLQDN-UHFFFAOYSA-N
MW471.47 g/mol
LogP5.20
Rot. Bonds5

About 2-hydroxy-3-nitro-N-phenylbenzamide;2-hydroxy-N-phenylbenzamide

2-hydroxy-3-nitro-N-phenylbenzamide;2-hydroxy-N-phenylbenzamide (PubChem CID 157455214) has the molecular formula C26H21N3O6 and a molecular weight of 471.47 g/mol. Its IUPAC name is 2-hydroxy-3-nitro-N-phenylbenzamide;2-hydroxy-N-phenylbenzamide.

Molecular Properties

Compound Name2-hydroxy-3-nitro-N-phenylbenzamide;2-hydroxy-N-phenylbenzamide
PubChem CID157455214
Molecular FormulaC26H21N3O6
Molecular Weight471.47 g/mol
Exact Mass471.14
IUPAC Name2-hydroxy-3-nitro-N-phenylbenzamide;2-hydroxy-N-phenylbenzamide
SMILESO=C(Nc1ccccc1)c1cccc([N+](=O)[O-])c1O.O=C(Nc1ccccc1)c1ccccc1O
InChIInChI=1S/C13H10N2O4.C13H11NO2/c16-12-10(7-4-8-11(12)15(18)19)13(17)14-9-5-2-1-3-6-9;15-12-9-5-4-8-11(12)13(16)14-10-6-2-1-3-7-10/h1-8,16H,(H,14,17);1-9,15H,(H,14,16)
InChIKeyBTGRZTQDYYLQDN-UHFFFAOYSA-N
XLogP5.20
TPSA141.80 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.47
LogP ≤ 55.20
H-Bond Donors ≤ 54
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'}

Analyze 2-hydroxy-3-nitro-N-phenylbenzamide;2-hydroxy-N-phenylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3-dinitro-N-phenylbenzamide
CID 18931494
2-hydroxy-N-phenylbenzamide
CID 157209959
N-(3,5-dimethylphenyl)-2-hydroxy-3-nitrobenzamide
CID 102740831
N-(3-ethylphenyl)-2-hydroxy-3-nitrobenzamide
CID 102740871
2-hydroxy-N-phenylbenzamide chloride
CID 19021936
2-nitro-N-[3-[(2-nitrobenzoyl)amino]phenyl]benzamide
CID 4524835
[2-nitro-6-(phenylcarbamoyl)phenyl] hypochlorite
CID 174856646
2-hydroxy-3-nitrobenzohydrazide
CID 11367606
CID 58418423
CID 58418423
ethane;2-hydroxy-N-phenylbenzamide
CID 54170056
3-deuterio-2-nitro-N-phenylbenzamide
CID 175816152
2-nitro-N-(4-phenylphenyl)benzamide
CID 3096329

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-nitro-N-phenylbenzamide;2-hydroxy-N-phenylbenzamide?
The IUPAC name of 2-hydroxy-3-nitro-N-phenylbenzamide;2-hydroxy-N-phenylbenzamide (CID 157455214) is 2-hydroxy-3-nitro-N-phenylbenzamide;2-hydroxy-N-phenylbenzamide.
What is the SMILES notation for 2-hydroxy-3-nitro-N-phenylbenzamide;2-hydroxy-N-phenylbenzamide?
The canonical SMILES for 2-hydroxy-3-nitro-N-phenylbenzamide;2-hydroxy-N-phenylbenzamide is O=C(Nc1ccccc1)c1cccc([N+](=O)[O-])c1O.O=C(Nc1ccccc1)c1ccccc1O.
What is the InChIKey of 2-hydroxy-3-nitro-N-phenylbenzamide;2-hydroxy-N-phenylbenzamide?
The InChIKey is BTGRZTQDYYLQDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O4.C13H11NO2/c16-12-10(7-4-8-11(12)15(18)19)13(17)14-9-5-2-1-3-6-9;15-12-9-5-4-8-11(12)13(16)14-10-6-2-1-3-7-10/h1-8,16H,(H,14,17);1-9,15H,(H,14,16).
What are the key properties of 2-hydroxy-3-nitro-N-phenylbenzamide;2-hydroxy-N-phenylbenzamide?
2-hydroxy-3-nitro-N-phenylbenzamide;2-hydroxy-N-phenylbenzamide has a molecular weight of 471.47 g/mol, XLogP of 5.20, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-nitro-N-phenylbenzamide;2-hydroxy-N-phenylbenzamide is sourced from PubChem (CID 157455214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).