N-naphthalen-2-yl-3-nitrobenzamide

C17H12N2O3 — CID 3822603

IUPACN-naphthalen-2-yl-3-nitrobenzamide
SMILESO=C(Nc1ccc2ccccc2c1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C17H12N2O3/c20-17(14-6-3-7-16(11-14)19(21)22)18-15-9-8-12-4-1-2-5-13(12)10-15/h1-11H,(H,18,20)
InChIKeyYUFJORRKQYQIFK-UHFFFAOYSA-N
MW292.29 g/mol
LogP4.00
Rot. Bonds3

About N-naphthalen-2-yl-3-nitrobenzamide

N-naphthalen-2-yl-3-nitrobenzamide (PubChem CID 3822603) has the molecular formula C17H12N2O3 and a molecular weight of 292.29 g/mol. Its IUPAC name is N-naphthalen-2-yl-3-nitrobenzamide.

Molecular Properties

Compound NameN-naphthalen-2-yl-3-nitrobenzamide
PubChem CID3822603
Molecular FormulaC17H12N2O3
Molecular Weight292.29 g/mol
Exact Mass292.08
IUPAC NameN-naphthalen-2-yl-3-nitrobenzamide
SMILESO=C(Nc1ccc2ccccc2c1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C17H12N2O3/c20-17(14-6-3-7-16(11-14)19(21)22)18-15-9-8-12-4-1-2-5-13(12)10-15/h1-11H,(H,18,20)
InChIKeyYUFJORRKQYQIFK-UHFFFAOYSA-N
XLogP4.00
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-naphthalen-2-yl-3-nitrobenzamide 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 N-naphthalen-2-yl-3-nitrobenzamide?
The IUPAC name of N-naphthalen-2-yl-3-nitrobenzamide (CID 3822603) is N-naphthalen-2-yl-3-nitrobenzamide.
What is the SMILES notation for N-naphthalen-2-yl-3-nitrobenzamide?
The canonical SMILES for N-naphthalen-2-yl-3-nitrobenzamide is O=C(Nc1ccc2ccccc2c1)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-naphthalen-2-yl-3-nitrobenzamide?
The InChIKey is YUFJORRKQYQIFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O3/c20-17(14-6-3-7-16(11-14)19(21)22)18-15-9-8-12-4-1-2-5-13(12)10-15/h1-11H,(H,18,20).
What are the key properties of N-naphthalen-2-yl-3-nitrobenzamide?
N-naphthalen-2-yl-3-nitrobenzamide has a molecular weight of 292.29 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-2-yl-3-nitrobenzamide is sourced from PubChem (CID 3822603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).