N-(4-fluorophenyl)-3-nitrobenzamide

C13H9FN2O3 — CID 765293

IUPACN-(4-fluorophenyl)-3-nitrobenzamide
SMILESO=C(Nc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C13H9FN2O3/c14-10-4-6-11(7-5-10)15-13(17)9-2-1-3-12(8-9)16(18)19/h1-8H,(H,15,17)
InChIKeyYPRHMRVPFAHCJX-UHFFFAOYSA-N
MW260.22 g/mol
LogP2.99
Rot. Bonds3

About N-(4-fluorophenyl)-3-nitrobenzamide

N-(4-fluorophenyl)-3-nitrobenzamide (PubChem CID 765293) has the molecular formula C13H9FN2O3 and a molecular weight of 260.22 g/mol. Its IUPAC name is N-(4-fluorophenyl)-3-nitrobenzamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-3-nitrobenzamide
PubChem CID765293
Molecular FormulaC13H9FN2O3
Molecular Weight260.22 g/mol
Exact Mass260.06
IUPAC NameN-(4-fluorophenyl)-3-nitrobenzamide
SMILESO=C(Nc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C13H9FN2O3/c14-10-4-6-11(7-5-10)15-13(17)9-2-1-3-12(8-9)16(18)19/h1-8H,(H,15,17)
InChIKeyYPRHMRVPFAHCJX-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'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-3-nitrobenzamide?
The IUPAC name of N-(4-fluorophenyl)-3-nitrobenzamide (CID 765293) is N-(4-fluorophenyl)-3-nitrobenzamide.
What is the SMILES notation for N-(4-fluorophenyl)-3-nitrobenzamide?
The canonical SMILES for N-(4-fluorophenyl)-3-nitrobenzamide is O=C(Nc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-(4-fluorophenyl)-3-nitrobenzamide?
The InChIKey is YPRHMRVPFAHCJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN2O3/c14-10-4-6-11(7-5-10)15-13(17)9-2-1-3-12(8-9)16(18)19/h1-8H,(H,15,17).
What are the key properties of N-(4-fluorophenyl)-3-nitrobenzamide?
N-(4-fluorophenyl)-3-nitrobenzamide 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 N-(4-fluorophenyl)-3-nitrobenzamide is sourced from PubChem (CID 765293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).