4-chloro-N-(2-fluorophenyl)-3-nitrobenzamide

C13H8ClFN2O3 — CID 2841903

IUPAC4-chloro-N-(2-fluorophenyl)-3-nitrobenzamide
SMILESO=C(Nc1ccccc1F)c1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C13H8ClFN2O3/c14-9-6-5-8(7-12(9)17(19)20)13(18)16-11-4-2-1-3-10(11)15/h1-7H,(H,16,18)
InChIKeyLFVDTQDEYCZBHG-UHFFFAOYSA-N
MW294.67 g/mol
LogP3.64
Rot. Bonds3

About 4-chloro-N-(2-fluorophenyl)-3-nitrobenzamide

4-chloro-N-(2-fluorophenyl)-3-nitrobenzamide (PubChem CID 2841903) has the molecular formula C13H8ClFN2O3 and a molecular weight of 294.67 g/mol. Its IUPAC name is 4-chloro-N-(2-fluorophenyl)-3-nitrobenzamide.

Molecular Properties

Compound Name4-chloro-N-(2-fluorophenyl)-3-nitrobenzamide
PubChem CID2841903
Molecular FormulaC13H8ClFN2O3
Molecular Weight294.67 g/mol
Exact Mass294.02
IUPAC Name4-chloro-N-(2-fluorophenyl)-3-nitrobenzamide
SMILESO=C(Nc1ccccc1F)c1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C13H8ClFN2O3/c14-9-6-5-8(7-12(9)17(19)20)13(18)16-11-4-2-1-3-10(11)15/h1-7H,(H,16,18)
InChIKeyLFVDTQDEYCZBHG-UHFFFAOYSA-N
XLogP3.64
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.67
LogP ≤ 53.64
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 4-chloro-N-(2-fluorophenyl)-3-nitrobenzamide?
The IUPAC name of 4-chloro-N-(2-fluorophenyl)-3-nitrobenzamide (CID 2841903) is 4-chloro-N-(2-fluorophenyl)-3-nitrobenzamide.
What is the SMILES notation for 4-chloro-N-(2-fluorophenyl)-3-nitrobenzamide?
The canonical SMILES for 4-chloro-N-(2-fluorophenyl)-3-nitrobenzamide is O=C(Nc1ccccc1F)c1ccc(Cl)c([N+](=O)[O-])c1.
What is the InChIKey of 4-chloro-N-(2-fluorophenyl)-3-nitrobenzamide?
The InChIKey is LFVDTQDEYCZBHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClFN2O3/c14-9-6-5-8(7-12(9)17(19)20)13(18)16-11-4-2-1-3-10(11)15/h1-7H,(H,16,18).
What are the key properties of 4-chloro-N-(2-fluorophenyl)-3-nitrobenzamide?
4-chloro-N-(2-fluorophenyl)-3-nitrobenzamide has a molecular weight of 294.67 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-fluorophenyl)-3-nitrobenzamide is sourced from PubChem (CID 2841903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).