2-(4-chlorophenoxy)-3-nitrobenzamide

C13H9ClN2O4 — CID 141017778

IUPAC2-(4-chlorophenoxy)-3-nitrobenzamide
SMILESNC(=O)c1cccc([N+](=O)[O-])c1Oc1ccc(Cl)cc1
InChIInChI=1S/C13H9ClN2O4/c14-8-4-6-9(7-5-8)20-12-10(13(15)17)2-1-3-11(12)16(18)19/h1-7H,(H2,15,17)
InChIKeyWEZSYFQMCIOTRI-UHFFFAOYSA-N
MW292.68 g/mol
LogP3.14
Rot. Bonds4

About 2-(4-chlorophenoxy)-3-nitrobenzamide

2-(4-chlorophenoxy)-3-nitrobenzamide (PubChem CID 141017778) has the molecular formula C13H9ClN2O4 and a molecular weight of 292.68 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-3-nitrobenzamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-3-nitrobenzamide
PubChem CID141017778
Molecular FormulaC13H9ClN2O4
Molecular Weight292.68 g/mol
Exact Mass292.03
IUPAC Name2-(4-chlorophenoxy)-3-nitrobenzamide
SMILESNC(=O)c1cccc([N+](=O)[O-])c1Oc1ccc(Cl)cc1
InChIInChI=1S/C13H9ClN2O4/c14-8-4-6-9(7-5-8)20-12-10(13(15)17)2-1-3-11(12)16(18)19/h1-7H,(H2,15,17)
InChIKeyWEZSYFQMCIOTRI-UHFFFAOYSA-N
XLogP3.14
TPSA95.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.68
LogP ≤ 53.14
H-Bond Donors ≤ 51
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 2-(4-chlorophenoxy)-3-nitrobenzamide?
The IUPAC name of 2-(4-chlorophenoxy)-3-nitrobenzamide (CID 141017778) is 2-(4-chlorophenoxy)-3-nitrobenzamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-3-nitrobenzamide?
The canonical SMILES for 2-(4-chlorophenoxy)-3-nitrobenzamide is NC(=O)c1cccc([N+](=O)[O-])c1Oc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-3-nitrobenzamide?
The InChIKey is WEZSYFQMCIOTRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2O4/c14-8-4-6-9(7-5-8)20-12-10(13(15)17)2-1-3-11(12)16(18)19/h1-7H,(H2,15,17).
What are the key properties of 2-(4-chlorophenoxy)-3-nitrobenzamide?
2-(4-chlorophenoxy)-3-nitrobenzamide has a molecular weight of 292.68 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-3-nitrobenzamide is sourced from PubChem (CID 141017778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).