5-hydroxy-2-nitro-N-(oxan-3-yl)benzamide

C12H14N2O5 — CID 102741811

IUPAC5-hydroxy-2-nitro-N-(oxan-3-yl)benzamide
SMILESO=C(NC1CCCOC1)c1cc(O)ccc1[N+](=O)[O-]
InChIInChI=1S/C12H14N2O5/c15-9-3-4-11(14(17)18)10(6-9)12(16)13-8-2-1-5-19-7-8/h3-4,6,8,15H,1-2,5,7H2,(H,13,16)
InChIKeyOVXCRFVTRSWSCZ-UHFFFAOYSA-N
MW266.25 g/mol
LogP1.21
Rot. Bonds3

About 5-hydroxy-2-nitro-N-(oxan-3-yl)benzamide

5-hydroxy-2-nitro-N-(oxan-3-yl)benzamide (PubChem CID 102741811) has the molecular formula C12H14N2O5 and a molecular weight of 266.25 g/mol. Its IUPAC name is 5-hydroxy-2-nitro-N-(oxan-3-yl)benzamide.

Molecular Properties

Compound Name5-hydroxy-2-nitro-N-(oxan-3-yl)benzamide
PubChem CID102741811
Molecular FormulaC12H14N2O5
Molecular Weight266.25 g/mol
Exact Mass266.09
IUPAC Name5-hydroxy-2-nitro-N-(oxan-3-yl)benzamide
SMILESO=C(NC1CCCOC1)c1cc(O)ccc1[N+](=O)[O-]
InChIInChI=1S/C12H14N2O5/c15-9-3-4-11(14(17)18)10(6-9)12(16)13-8-2-1-5-19-7-8/h3-4,6,8,15H,1-2,5,7H2,(H,13,16)
InChIKeyOVXCRFVTRSWSCZ-UHFFFAOYSA-N
XLogP1.21
TPSA101.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 51.21
H-Bond Donors ≤ 52
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'}

Analyze 5-hydroxy-2-nitro-N-(oxan-3-yl)benzamide 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

5-fluoro-2-nitro-N-(oxolan-3-yl)benzamide
CID 80717470
2,4-dihydroxy-N-(oxan-3-yl)benzamide
CID 113232786
5-hydroxy-N-(1-methylpiperidin-3-yl)-2-nitrobenzamide
CID 102741361
3-(methylamino)-4-nitro-N-(oxan-3-yl)benzamide
CID 63362522
2-iodo-5-nitro-N-(oxan-3-yl)benzamide
CID 63363525
2,6-difluoro-3-nitro-N-(oxan-3-yl)benzamide
CID 103740066
5-hydroxy-2-nitro-N-(oxan-4-ylmethyl)benzamide
CID 102741836
5-(methylamino)-2-nitro-N-(oxan-4-yl)benzamide
CID 62170106
3-chloro-2-nitro-N-(oxan-3-yl)benzamide
CID 79831055
N-(1-cyclopropylpyrrolidin-3-yl)-5-hydroxy-2-nitrobenzamide
CID 102741670
2,5-difluoro-4-nitro-N-(oxolan-3-yl)benzamide
CID 113322132
5-hydroxy-N-(2-methylcycloheptyl)-2-nitrobenzamide
CID 107076139

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-nitro-N-(oxan-3-yl)benzamide?
The IUPAC name of 5-hydroxy-2-nitro-N-(oxan-3-yl)benzamide (CID 102741811) is 5-hydroxy-2-nitro-N-(oxan-3-yl)benzamide.
What is the SMILES notation for 5-hydroxy-2-nitro-N-(oxan-3-yl)benzamide?
The canonical SMILES for 5-hydroxy-2-nitro-N-(oxan-3-yl)benzamide is O=C(NC1CCCOC1)c1cc(O)ccc1[N+](=O)[O-].
What is the InChIKey of 5-hydroxy-2-nitro-N-(oxan-3-yl)benzamide?
The InChIKey is OVXCRFVTRSWSCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O5/c15-9-3-4-11(14(17)18)10(6-9)12(16)13-8-2-1-5-19-7-8/h3-4,6,8,15H,1-2,5,7H2,(H,13,16).
What are the key properties of 5-hydroxy-2-nitro-N-(oxan-3-yl)benzamide?
5-hydroxy-2-nitro-N-(oxan-3-yl)benzamide has a molecular weight of 266.25 g/mol, XLogP of 1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-nitro-N-(oxan-3-yl)benzamide is sourced from PubChem (CID 102741811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).