2,3-difluoro-N-(2-hydroxy-5-nitrophenyl)benzamide

C13H8F2N2O4 — CID 103863233

IUPAC2,3-difluoro-N-(2-hydroxy-5-nitrophenyl)benzamide
SMILESO=C(Nc1cc([N+](=O)[O-])ccc1O)c1cccc(F)c1F
InChIInChI=1S/C13H8F2N2O4/c14-9-3-1-2-8(12(9)15)13(19)16-10-6-7(17(20)21)4-5-11(10)18/h1-6,18H,(H,16,19)
InChIKeyMBHMRLAXHDXDQJ-UHFFFAOYSA-N
MW294.21 g/mol
LogP2.83
Rot. Bonds3

About 2,3-difluoro-N-(2-hydroxy-5-nitrophenyl)benzamide

2,3-difluoro-N-(2-hydroxy-5-nitrophenyl)benzamide (PubChem CID 103863233) has the molecular formula C13H8F2N2O4 and a molecular weight of 294.21 g/mol. Its IUPAC name is 2,3-difluoro-N-(2-hydroxy-5-nitrophenyl)benzamide.

Molecular Properties

Compound Name2,3-difluoro-N-(2-hydroxy-5-nitrophenyl)benzamide
PubChem CID103863233
Molecular FormulaC13H8F2N2O4
Molecular Weight294.21 g/mol
Exact Mass294.05
IUPAC Name2,3-difluoro-N-(2-hydroxy-5-nitrophenyl)benzamide
SMILESO=C(Nc1cc([N+](=O)[O-])ccc1O)c1cccc(F)c1F
InChIInChI=1S/C13H8F2N2O4/c14-9-3-1-2-8(12(9)15)13(19)16-10-6-7(17(20)21)4-5-11(10)18/h1-6,18H,(H,16,19)
InChIKeyMBHMRLAXHDXDQJ-UHFFFAOYSA-N
XLogP2.83
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.21
LogP ≤ 52.83
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-bromo-2-fluoro-N-(2-hydroxy-5-nitrophenyl)benzamide
CID 106548159
N-(2-bromo-5-nitrophenyl)-2,3-difluorobenzamide
CID 81495048
2-fluoro-N-(2-fluoro-5-nitrophenyl)-3-methylbenzamide
CID 80710679
N-(2-hydroxy-5-nitrophenyl)-2,3-dimethylbenzamide
CID 103863236
N-(2-hydroxy-5-nitrophenyl)-2-iodo-3-methylbenzamide
CID 103894392
2-chloro-N-(2-hydroxy-5-nitrophenyl)-4-nitrobenzamide
CID 17342396
2-(2-fluorophenyl)-N-(2-hydroxy-5-nitrophenyl)acetamide
CID 103602366
N-(2-hydroxy-5-nitrophenyl)-2-methylpyridine-3-carboxamide
CID 103863225
4-amino-3-fluoro-N-(2-hydroxy-5-nitrophenyl)benzamide
CID 107744674
N-(5-fluoro-2-hydroxyphenyl)-3-nitrobenzamide
CID 90714767
3-amino-N-(2-hydroxy-5-nitrophenyl)benzamide
CID 107744509
N-(2-hydroxy-5-nitrophenyl)-2-methoxypyridine-3-carboxamide
CID 103863259

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-N-(2-hydroxy-5-nitrophenyl)benzamide?
The IUPAC name of 2,3-difluoro-N-(2-hydroxy-5-nitrophenyl)benzamide (CID 103863233) is 2,3-difluoro-N-(2-hydroxy-5-nitrophenyl)benzamide.
What is the SMILES notation for 2,3-difluoro-N-(2-hydroxy-5-nitrophenyl)benzamide?
The canonical SMILES for 2,3-difluoro-N-(2-hydroxy-5-nitrophenyl)benzamide is O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cccc(F)c1F.
What is the InChIKey of 2,3-difluoro-N-(2-hydroxy-5-nitrophenyl)benzamide?
The InChIKey is MBHMRLAXHDXDQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F2N2O4/c14-9-3-1-2-8(12(9)15)13(19)16-10-6-7(17(20)21)4-5-11(10)18/h1-6,18H,(H,16,19).
What are the key properties of 2,3-difluoro-N-(2-hydroxy-5-nitrophenyl)benzamide?
2,3-difluoro-N-(2-hydroxy-5-nitrophenyl)benzamide has a molecular weight of 294.21 g/mol, XLogP of 2.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-N-(2-hydroxy-5-nitrophenyl)benzamide is sourced from PubChem (CID 103863233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).