4-fluoro-N-(3-nitrophenyl)benzamide

C13H9FN2O3 — CID 531958

IUPAC4-fluoro-N-(3-nitrophenyl)benzamide
SMILESO=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1
InChIInChI=1S/C13H9FN2O3/c14-10-6-4-9(5-7-10)13(17)15-11-2-1-3-12(8-11)16(18)19/h1-8H,(H,15,17)
InChIKeyYVWSFJPMKQLACJ-UHFFFAOYSA-N
MW260.22 g/mol
LogP2.99
Rot. Bonds3

About 4-fluoro-N-(3-nitrophenyl)benzamide

4-fluoro-N-(3-nitrophenyl)benzamide (PubChem CID 531958) has the molecular formula C13H9FN2O3 and a molecular weight of 260.22 g/mol. Its IUPAC name is 4-fluoro-N-(3-nitrophenyl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-(3-nitrophenyl)benzamide
PubChem CID531958
Molecular FormulaC13H9FN2O3
Molecular Weight260.22 g/mol
Exact Mass260.06
IUPAC Name4-fluoro-N-(3-nitrophenyl)benzamide
SMILESO=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1
InChIInChI=1S/C13H9FN2O3/c14-10-6-4-9(5-7-10)13(17)15-11-2-1-3-12(8-11)16(18)19/h1-8H,(H,15,17)
InChIKeyYVWSFJPMKQLACJ-UHFFFAOYSA-N
XLogP2.99
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.22
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-fluoro-N-(3-nitrophenyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(3-nitrophenyl)benzamide?
The IUPAC name of 4-fluoro-N-(3-nitrophenyl)benzamide (CID 531958) is 4-fluoro-N-(3-nitrophenyl)benzamide.
What is the SMILES notation for 4-fluoro-N-(3-nitrophenyl)benzamide?
The canonical SMILES for 4-fluoro-N-(3-nitrophenyl)benzamide is O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(3-nitrophenyl)benzamide?
The InChIKey is YVWSFJPMKQLACJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN2O3/c14-10-6-4-9(5-7-10)13(17)15-11-2-1-3-12(8-11)16(18)19/h1-8H,(H,15,17).
What are the key properties of 4-fluoro-N-(3-nitrophenyl)benzamide?
4-fluoro-N-(3-nitrophenyl)benzamide has a molecular weight of 260.22 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(3-nitrophenyl)benzamide is sourced from PubChem (CID 531958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).