3-nitro-N-(1-oxo-3H-2-benzofuran-5-yl)benzamide

C15H10N2O5 — CID 860484

IUPAC3-nitro-N-(1-oxo-3H-2-benzofuran-5-yl)benzamide
SMILESO=C(Nc1ccc2c(c1)COC2=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H10N2O5/c18-14(9-2-1-3-12(7-9)17(20)21)16-11-4-5-13-10(6-11)8-22-15(13)19/h1-7H,8H2,(H,16,18)
InChIKeyUQBPHDGKKWHCJG-UHFFFAOYSA-N
MW298.25 g/mol
LogP2.52
Rot. Bonds3

About 3-nitro-N-(1-oxo-3H-2-benzofuran-5-yl)benzamide

3-nitro-N-(1-oxo-3H-2-benzofuran-5-yl)benzamide (PubChem CID 860484) has the molecular formula C15H10N2O5 and a molecular weight of 298.25 g/mol. Its IUPAC name is 3-nitro-N-(1-oxo-3H-2-benzofuran-5-yl)benzamide.

Molecular Properties

Compound Name3-nitro-N-(1-oxo-3H-2-benzofuran-5-yl)benzamide
PubChem CID860484
Molecular FormulaC15H10N2O5
Molecular Weight298.25 g/mol
Exact Mass298.06
IUPAC Name3-nitro-N-(1-oxo-3H-2-benzofuran-5-yl)benzamide
SMILESO=C(Nc1ccc2c(c1)COC2=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H10N2O5/c18-14(9-2-1-3-12(7-9)17(20)21)16-11-4-5-13-10(6-11)8-22-15(13)19/h1-7H,8H2,(H,16,18)
InChIKeyUQBPHDGKKWHCJG-UHFFFAOYSA-N
XLogP2.52
TPSA98.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.25
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-nitro-N-(1-oxo-3H-2-benzofuran-5-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-nitro-N-(1-oxo-3H-2-benzofuran-5-yl)benzamide?
The IUPAC name of 3-nitro-N-(1-oxo-3H-2-benzofuran-5-yl)benzamide (CID 860484) is 3-nitro-N-(1-oxo-3H-2-benzofuran-5-yl)benzamide.
What is the SMILES notation for 3-nitro-N-(1-oxo-3H-2-benzofuran-5-yl)benzamide?
The canonical SMILES for 3-nitro-N-(1-oxo-3H-2-benzofuran-5-yl)benzamide is O=C(Nc1ccc2c(c1)COC2=O)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 3-nitro-N-(1-oxo-3H-2-benzofuran-5-yl)benzamide?
The InChIKey is UQBPHDGKKWHCJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O5/c18-14(9-2-1-3-12(7-9)17(20)21)16-11-4-5-13-10(6-11)8-22-15(13)19/h1-7H,8H2,(H,16,18).
What are the key properties of 3-nitro-N-(1-oxo-3H-2-benzofuran-5-yl)benzamide?
3-nitro-N-(1-oxo-3H-2-benzofuran-5-yl)benzamide has a molecular weight of 298.25 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-N-(1-oxo-3H-2-benzofuran-5-yl)benzamide is sourced from PubChem (CID 860484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).