5-chloro-N-(2-fluoro-5-nitrophenyl)-2-hydroxybenzamide

C13H8ClFN2O4 — CID 71508739

IUPAC5-chloro-N-(2-fluoro-5-nitrophenyl)-2-hydroxybenzamide
SMILESO=C(Nc1cc([N+](=O)[O-])ccc1F)c1cc(Cl)ccc1O
InChIInChI=1S/C13H8ClFN2O4/c14-7-1-4-12(18)9(5-7)13(19)16-11-6-8(17(20)21)2-3-10(11)15/h1-6,18H,(H,16,19)
InChIKeyQTYRVIWHEZBYLO-UHFFFAOYSA-N
MW310.67 g/mol
LogP3.35
Rot. Bonds3

About 5-chloro-N-(2-fluoro-5-nitrophenyl)-2-hydroxybenzamide

5-chloro-N-(2-fluoro-5-nitrophenyl)-2-hydroxybenzamide (PubChem CID 71508739) has the molecular formula C13H8ClFN2O4 and a molecular weight of 310.67 g/mol. Its IUPAC name is 5-chloro-N-(2-fluoro-5-nitrophenyl)-2-hydroxybenzamide.

Molecular Properties

Compound Name5-chloro-N-(2-fluoro-5-nitrophenyl)-2-hydroxybenzamide
PubChem CID71508739
Molecular FormulaC13H8ClFN2O4
Molecular Weight310.67 g/mol
Exact Mass310.02
IUPAC Name5-chloro-N-(2-fluoro-5-nitrophenyl)-2-hydroxybenzamide
SMILESO=C(Nc1cc([N+](=O)[O-])ccc1F)c1cc(Cl)ccc1O
InChIInChI=1S/C13H8ClFN2O4/c14-7-1-4-12(18)9(5-7)13(19)16-11-6-8(17(20)21)2-3-10(11)15/h1-6,18H,(H,16,19)
InChIKeyQTYRVIWHEZBYLO-UHFFFAOYSA-N
XLogP3.35
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.67
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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 5-chloro-N-(2-fluoro-5-nitrophenyl)-2-hydroxybenzamide?
The IUPAC name of 5-chloro-N-(2-fluoro-5-nitrophenyl)-2-hydroxybenzamide (CID 71508739) is 5-chloro-N-(2-fluoro-5-nitrophenyl)-2-hydroxybenzamide.
What is the SMILES notation for 5-chloro-N-(2-fluoro-5-nitrophenyl)-2-hydroxybenzamide?
The canonical SMILES for 5-chloro-N-(2-fluoro-5-nitrophenyl)-2-hydroxybenzamide is O=C(Nc1cc([N+](=O)[O-])ccc1F)c1cc(Cl)ccc1O.
What is the InChIKey of 5-chloro-N-(2-fluoro-5-nitrophenyl)-2-hydroxybenzamide?
The InChIKey is QTYRVIWHEZBYLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClFN2O4/c14-7-1-4-12(18)9(5-7)13(19)16-11-6-8(17(20)21)2-3-10(11)15/h1-6,18H,(H,16,19).
What are the key properties of 5-chloro-N-(2-fluoro-5-nitrophenyl)-2-hydroxybenzamide?
5-chloro-N-(2-fluoro-5-nitrophenyl)-2-hydroxybenzamide has a molecular weight of 310.67 g/mol, XLogP of 3.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-fluoro-5-nitrophenyl)-2-hydroxybenzamide is sourced from PubChem (CID 71508739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).