N-(5-fluoro-2-hydroxyphenyl)-3-nitrobenzamide

C13H9FN2O4 — CID 90714767

IUPACN-(5-fluoro-2-hydroxyphenyl)-3-nitrobenzamide
SMILESO=C(Nc1cc(F)ccc1O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C13H9FN2O4/c14-9-4-5-12(17)11(7-9)15-13(18)8-2-1-3-10(6-8)16(19)20/h1-7,17H,(H,15,18)
InChIKeyYEJSULJNKHVZTG-UHFFFAOYSA-N
MW276.22 g/mol
LogP2.69
Rot. Bonds3

About N-(5-fluoro-2-hydroxyphenyl)-3-nitrobenzamide

N-(5-fluoro-2-hydroxyphenyl)-3-nitrobenzamide (PubChem CID 90714767) has the molecular formula C13H9FN2O4 and a molecular weight of 276.22 g/mol. Its IUPAC name is N-(5-fluoro-2-hydroxyphenyl)-3-nitrobenzamide.

Molecular Properties

Compound NameN-(5-fluoro-2-hydroxyphenyl)-3-nitrobenzamide
PubChem CID90714767
Molecular FormulaC13H9FN2O4
Molecular Weight276.22 g/mol
Exact Mass276.05
IUPAC NameN-(5-fluoro-2-hydroxyphenyl)-3-nitrobenzamide
SMILESO=C(Nc1cc(F)ccc1O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C13H9FN2O4/c14-9-4-5-12(17)11(7-9)15-13(18)8-2-1-3-10(6-8)16(19)20/h1-7,17H,(H,15,18)
InChIKeyYEJSULJNKHVZTG-UHFFFAOYSA-N
XLogP2.69
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.22
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Related Compounds

3-nitro-N-[2-[(3-nitrobenzoyl)amino]phenyl]benzamide
CID 4118809
3-amino-N-(2-hydroxy-5-nitrophenyl)benzamide
CID 107744509
N-(4-fluorophenyl)-4-[(3-nitrobenzoyl)amino]-1H-pyrazole-5-carboxamide
CID 59733390
3-N-(5-fluoro-2-hydroxyphenyl)-1-N-methylbenzene-1,3-dicarboxamide
CID 71863070
N-(3,5-difluorophenyl)-3-nitrobenzamide
CID 2990730
N-(5-fluoro-2-nitrophenyl)-3-hydroxybenzamide
CID 110462704
3-nitro-N-[3-[(3-nitrobenzoyl)amino]naphthalen-2-yl]benzamide
CID 4301788
4-amino-3-fluoro-N-(2-hydroxy-5-nitrophenyl)benzamide
CID 107744674
N-(2,4-dinitrophenyl)-3-nitrobenzamide
CID 3427628
N-(2-acetamidophenyl)-3-nitrobenzamide
CID 3509024
2,3-difluoro-N-(2-hydroxy-5-nitrophenyl)benzamide
CID 103863233
3-fluoro-N-(3-hydroxy-5-nitro-2-pyridinyl)benzamide
CID 110495932

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-hydroxyphenyl)-3-nitrobenzamide?
The IUPAC name of N-(5-fluoro-2-hydroxyphenyl)-3-nitrobenzamide (CID 90714767) is N-(5-fluoro-2-hydroxyphenyl)-3-nitrobenzamide.
What is the SMILES notation for N-(5-fluoro-2-hydroxyphenyl)-3-nitrobenzamide?
The canonical SMILES for N-(5-fluoro-2-hydroxyphenyl)-3-nitrobenzamide is O=C(Nc1cc(F)ccc1O)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-(5-fluoro-2-hydroxyphenyl)-3-nitrobenzamide?
The InChIKey is YEJSULJNKHVZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN2O4/c14-9-4-5-12(17)11(7-9)15-13(18)8-2-1-3-10(6-8)16(19)20/h1-7,17H,(H,15,18).
What are the key properties of N-(5-fluoro-2-hydroxyphenyl)-3-nitrobenzamide?
N-(5-fluoro-2-hydroxyphenyl)-3-nitrobenzamide has a molecular weight of 276.22 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-hydroxyphenyl)-3-nitrobenzamide is sourced from PubChem (CID 90714767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).