4-ethoxy-3-nitrobenzamide

C9H10N2O4 — CID 28665450

IUPAC4-ethoxy-3-nitrobenzamide
SMILESCCOc1ccc(C(N)=O)cc1[N+](=O)[O-]
InChIInChI=1S/C9H10N2O4/c1-2-15-8-4-3-6(9(10)12)5-7(8)11(13)14/h3-5H,2H2,1H3,(H2,10,12)
InChIKeyNALXYPQJOSZBRA-UHFFFAOYSA-N
MW210.19 g/mol
LogP1.09
Rot. Bonds4

About 4-ethoxy-3-nitrobenzamide

4-ethoxy-3-nitrobenzamide (PubChem CID 28665450) has the molecular formula C9H10N2O4 and a molecular weight of 210.19 g/mol. Its IUPAC name is 4-ethoxy-3-nitrobenzamide.

Molecular Properties

Compound Name4-ethoxy-3-nitrobenzamide
PubChem CID28665450
Molecular FormulaC9H10N2O4
Molecular Weight210.19 g/mol
Exact Mass210.06
IUPAC Name4-ethoxy-3-nitrobenzamide
SMILESCCOc1ccc(C(N)=O)cc1[N+](=O)[O-]
InChIInChI=1S/C9H10N2O4/c1-2-15-8-4-3-6(9(10)12)5-7(8)11(13)14/h3-5H,2H2,1H3,(H2,10,12)
InChIKeyNALXYPQJOSZBRA-UHFFFAOYSA-N
XLogP1.09
TPSA95.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 51.09
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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Related Compounds

CID 7331
CID 7331
CID 66640
CID 66640
CID 87135
CID 87135
CID 82603
CID 82603
CID 2743476
CID 2743476
CID 1219371
CID 1219371
CID 874576
CID 874576
CID 673671
CID 673671
CID 3401039
CID 3401039
CID 233283
CID 233283
CID 679478
CID 679478
CID 700608
CID 700608

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-3-nitrobenzamide?
The IUPAC name of 4-ethoxy-3-nitrobenzamide (CID 28665450) is 4-ethoxy-3-nitrobenzamide.
What is the SMILES notation for 4-ethoxy-3-nitrobenzamide?
The canonical SMILES for 4-ethoxy-3-nitrobenzamide is CCOc1ccc(C(N)=O)cc1[N+](=O)[O-].
What is the InChIKey of 4-ethoxy-3-nitrobenzamide?
The InChIKey is NALXYPQJOSZBRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O4/c1-2-15-8-4-3-6(9(10)12)5-7(8)11(13)14/h3-5H,2H2,1H3,(H2,10,12).
What are the key properties of 4-ethoxy-3-nitrobenzamide?
4-ethoxy-3-nitrobenzamide has a molecular weight of 210.19 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-3-nitrobenzamide is sourced from PubChem (CID 28665450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).