3-nitro-4-phenoxybenzamide

C13H10N2O4 — CID 9213373

IUPAC3-nitro-4-phenoxybenzamide
SMILESNC(=O)c1ccc(Oc2ccccc2)c([N+](=O)[O-])c1
InChIInChI=1S/C13H10N2O4/c14-13(16)9-6-7-12(11(8-9)15(17)18)19-10-4-2-1-3-5-10/h1-8H,(H2,14,16)
InChIKeyRZSXGEMOBZSHEO-UHFFFAOYSA-N
MW258.23 g/mol
LogP2.49
Rot. Bonds4

About 3-nitro-4-phenoxybenzamide

3-nitro-4-phenoxybenzamide (PubChem CID 9213373) has the molecular formula C13H10N2O4 and a molecular weight of 258.23 g/mol. Its IUPAC name is 3-nitro-4-phenoxybenzamide.

Molecular Properties

Compound Name3-nitro-4-phenoxybenzamide
PubChem CID9213373
Molecular FormulaC13H10N2O4
Molecular Weight258.23 g/mol
Exact Mass258.06
IUPAC Name3-nitro-4-phenoxybenzamide
SMILESNC(=O)c1ccc(Oc2ccccc2)c([N+](=O)[O-])c1
InChIInChI=1S/C13H10N2O4/c14-13(16)9-6-7-12(11(8-9)15(17)18)19-10-4-2-1-3-5-10/h1-8H,(H2,14,16)
InChIKeyRZSXGEMOBZSHEO-UHFFFAOYSA-N
XLogP2.49
TPSA95.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.23
LogP ≤ 52.49
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 3-nitro-4-phenoxybenzamide?
The IUPAC name of 3-nitro-4-phenoxybenzamide (CID 9213373) is 3-nitro-4-phenoxybenzamide.
What is the SMILES notation for 3-nitro-4-phenoxybenzamide?
The canonical SMILES for 3-nitro-4-phenoxybenzamide is NC(=O)c1ccc(Oc2ccccc2)c([N+](=O)[O-])c1.
What is the InChIKey of 3-nitro-4-phenoxybenzamide?
The InChIKey is RZSXGEMOBZSHEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O4/c14-13(16)9-6-7-12(11(8-9)15(17)18)19-10-4-2-1-3-5-10/h1-8H,(H2,14,16).
What are the key properties of 3-nitro-4-phenoxybenzamide?
3-nitro-4-phenoxybenzamide has a molecular weight of 258.23 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-4-phenoxybenzamide is sourced from PubChem (CID 9213373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).