4-nitro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide

C17H16N2O3 — CID 4148717

IUPAC4-nitro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
SMILESO=C(NC1CCCc2ccccc21)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C17H16N2O3/c20-17(13-8-10-14(11-9-13)19(21)22)18-16-7-3-5-12-4-1-2-6-15(12)16/h1-2,4,6,8-11,16H,3,5,7H2,(H,18,20)
InChIKeyIRICJGWSFQWTSX-UHFFFAOYSA-N
MW296.33 g/mol
LogP3.40
Rot. Bonds3

About 4-nitro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide

4-nitro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide (PubChem CID 4148717) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is 4-nitro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide.

Molecular Properties

Compound Name4-nitro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
PubChem CID4148717
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Name4-nitro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
SMILESO=C(NC1CCCc2ccccc21)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C17H16N2O3/c20-17(13-8-10-14(11-9-13)19(21)22)18-16-7-3-5-12-4-1-2-6-15(12)16/h1-2,4,6,8-11,16H,3,5,7H2,(H,18,20)
InChIKeyIRICJGWSFQWTSX-UHFFFAOYSA-N
XLogP3.40
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 53.40
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 4-nitro-N-(1,2,3,4-tetrahydronaphthalen-1-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 4-nitro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide?
The IUPAC name of 4-nitro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide (CID 4148717) is 4-nitro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide.
What is the SMILES notation for 4-nitro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide?
The canonical SMILES for 4-nitro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide is O=C(NC1CCCc2ccccc21)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 4-nitro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide?
The InChIKey is IRICJGWSFQWTSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c20-17(13-8-10-14(11-9-13)19(21)22)18-16-7-3-5-12-4-1-2-6-15(12)16/h1-2,4,6,8-11,16H,3,5,7H2,(H,18,20).
What are the key properties of 4-nitro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide?
4-nitro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide has a molecular weight of 296.33 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide is sourced from PubChem (CID 4148717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).