4-nitro-N-phenacylbenzamide

C15H12N2O4 — CID 732475

IUPAC4-nitro-N-phenacylbenzamide
SMILESO=C(CNC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1
InChIInChI=1S/C15H12N2O4/c18-14(11-4-2-1-3-5-11)10-16-15(19)12-6-8-13(9-7-12)17(20)21/h1-9H,10H2,(H,16,19)
InChIKeyJGBSDGVWGWUGED-UHFFFAOYSA-N
MW284.27 g/mol
LogP2.21
Rot. Bonds5

About 4-nitro-N-phenacylbenzamide

4-nitro-N-phenacylbenzamide (PubChem CID 732475) has the molecular formula C15H12N2O4 and a molecular weight of 284.27 g/mol. Its IUPAC name is 4-nitro-N-phenacylbenzamide.

Molecular Properties

Compound Name4-nitro-N-phenacylbenzamide
PubChem CID732475
Molecular FormulaC15H12N2O4
Molecular Weight284.27 g/mol
Exact Mass284.08
IUPAC Name4-nitro-N-phenacylbenzamide
SMILESO=C(CNC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1
InChIInChI=1S/C15H12N2O4/c18-14(11-4-2-1-3-5-11)10-16-15(19)12-6-8-13(9-7-12)17(20)21/h1-9H,10H2,(H,16,19)
InChIKeyJGBSDGVWGWUGED-UHFFFAOYSA-N
XLogP2.21
TPSA89.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 52.21
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 4-nitro-N-phenacylbenzamide?
The IUPAC name of 4-nitro-N-phenacylbenzamide (CID 732475) is 4-nitro-N-phenacylbenzamide.
What is the SMILES notation for 4-nitro-N-phenacylbenzamide?
The canonical SMILES for 4-nitro-N-phenacylbenzamide is O=C(CNC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1.
What is the InChIKey of 4-nitro-N-phenacylbenzamide?
The InChIKey is JGBSDGVWGWUGED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O4/c18-14(11-4-2-1-3-5-11)10-16-15(19)12-6-8-13(9-7-12)17(20)21/h1-9H,10H2,(H,16,19).
What are the key properties of 4-nitro-N-phenacylbenzamide?
4-nitro-N-phenacylbenzamide has a molecular weight of 284.27 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-N-phenacylbenzamide is sourced from PubChem (CID 732475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).