N-(4-acetylphenyl)-4-nitrobenzamide

C15H12N2O4 — CID 690178

IUPACN-(4-acetylphenyl)-4-nitrobenzamide
SMILESCC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C15H12N2O4/c1-10(18)11-2-6-13(7-3-11)16-15(19)12-4-8-14(9-5-12)17(20)21/h2-9H,1H3,(H,16,19)
InChIKeyCZANJAQNQSTZEP-UHFFFAOYSA-N
MW284.27 g/mol
LogP3.05
Rot. Bonds4

About N-(4-acetylphenyl)-4-nitrobenzamide

N-(4-acetylphenyl)-4-nitrobenzamide (PubChem CID 690178) has the molecular formula C15H12N2O4 and a molecular weight of 284.27 g/mol. Its IUPAC name is N-(4-acetylphenyl)-4-nitrobenzamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-4-nitrobenzamide
PubChem CID690178
Molecular FormulaC15H12N2O4
Molecular Weight284.27 g/mol
Exact Mass284.08
IUPAC NameN-(4-acetylphenyl)-4-nitrobenzamide
SMILESCC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C15H12N2O4/c1-10(18)11-2-6-13(7-3-11)16-15(19)12-4-8-14(9-5-12)17(20)21/h2-9H,1H3,(H,16,19)
InChIKeyCZANJAQNQSTZEP-UHFFFAOYSA-N
XLogP3.05
TPSA89.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 53.05
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 N-(4-acetylphenyl)-4-nitrobenzamide?
The IUPAC name of N-(4-acetylphenyl)-4-nitrobenzamide (CID 690178) is N-(4-acetylphenyl)-4-nitrobenzamide.
What is the SMILES notation for N-(4-acetylphenyl)-4-nitrobenzamide?
The canonical SMILES for N-(4-acetylphenyl)-4-nitrobenzamide is CC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-4-nitrobenzamide?
The InChIKey is CZANJAQNQSTZEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O4/c1-10(18)11-2-6-13(7-3-11)16-15(19)12-4-8-14(9-5-12)17(20)21/h2-9H,1H3,(H,16,19).
What are the key properties of N-(4-acetylphenyl)-4-nitrobenzamide?
N-(4-acetylphenyl)-4-nitrobenzamide has a molecular weight of 284.27 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-4-nitrobenzamide is sourced from PubChem (CID 690178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).