3-fluoro-N-(2-hydroxy-5-nitrophenyl)benzamide

C13H9FN2O4 — CID 3873194

IUPAC3-fluoro-N-(2-hydroxy-5-nitrophenyl)benzamide
SMILESO=C(Nc1cc([N+](=O)[O-])ccc1O)c1cccc(F)c1
InChIInChI=1S/C13H9FN2O4/c14-9-3-1-2-8(6-9)13(18)15-11-7-10(16(19)20)4-5-12(11)17/h1-7,17H,(H,15,18)
InChIKeyLXWONXNGGXOAEJ-UHFFFAOYSA-N
MW276.22 g/mol
LogP2.69
Rot. Bonds3

About 3-fluoro-N-(2-hydroxy-5-nitrophenyl)benzamide

3-fluoro-N-(2-hydroxy-5-nitrophenyl)benzamide (PubChem CID 3873194) has the molecular formula C13H9FN2O4 and a molecular weight of 276.22 g/mol. Its IUPAC name is 3-fluoro-N-(2-hydroxy-5-nitrophenyl)benzamide.

Molecular Properties

Compound Name3-fluoro-N-(2-hydroxy-5-nitrophenyl)benzamide
PubChem CID3873194
Molecular FormulaC13H9FN2O4
Molecular Weight276.22 g/mol
Exact Mass276.05
IUPAC Name3-fluoro-N-(2-hydroxy-5-nitrophenyl)benzamide
SMILESO=C(Nc1cc([N+](=O)[O-])ccc1O)c1cccc(F)c1
InChIInChI=1S/C13H9FN2O4/c14-9-3-1-2-8(6-9)13(18)15-11-7-10(16(19)20)4-5-12(11)17/h1-7,17H,(H,15,18)
InChIKeyLXWONXNGGXOAEJ-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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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(2-hydroxy-5-nitrophenyl)benzamide?
The IUPAC name of 3-fluoro-N-(2-hydroxy-5-nitrophenyl)benzamide (CID 3873194) is 3-fluoro-N-(2-hydroxy-5-nitrophenyl)benzamide.
What is the SMILES notation for 3-fluoro-N-(2-hydroxy-5-nitrophenyl)benzamide?
The canonical SMILES for 3-fluoro-N-(2-hydroxy-5-nitrophenyl)benzamide is O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-(2-hydroxy-5-nitrophenyl)benzamide?
The InChIKey is LXWONXNGGXOAEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN2O4/c14-9-3-1-2-8(6-9)13(18)15-11-7-10(16(19)20)4-5-12(11)17/h1-7,17H,(H,15,18).
What are the key properties of 3-fluoro-N-(2-hydroxy-5-nitrophenyl)benzamide?
3-fluoro-N-(2-hydroxy-5-nitrophenyl)benzamide 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 3-fluoro-N-(2-hydroxy-5-nitrophenyl)benzamide is sourced from PubChem (CID 3873194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).