N-(5-fluoro-4-nitronaphthalen-1-yl)-N,2-dimethylpropanamide

C₁₅H₁₅FN₂O₃ — CID 142129643

About N-(5-fluoro-4-nitronaphthalen-1-yl)-N,2-dimethylpropanamide

N-(5-fluoro-4-nitronaphthalen-1-yl)-N,2-dimethylpropanamide (PubChem CID 142129643) has the molecular formula C₁₅H₁₅FN₂O₃ and a molecular weight of 290.29 g/mol. Its IUPAC name is N-(5-fluoro-4-nitronaphthalen-1-yl)-N,2-dimethylpropanamide.

Molecular Properties

• Compound Name: N-(5-fluoro-4-nitronaphthalen-1-yl)-N,2-dimethylpropanamide
• PubChem CID: 142129643
• Molecular Formula: C₁₅H₁₅FN₂O₃
• Molecular Weight: 290.29 g/mol
• Exact Mass: 290.11
• IUPAC Name: N-(5-fluoro-4-nitronaphthalen-1-yl)-N,2-dimethylpropanamide
• SMILES: CC(C)C(=O)N(C)c1ccc([N+](=O)[O-])c2c(F)cccc12
• InChI: InChI=1S/C15H15FN2O3/c1-9(2)15(19)17(3)12-7-8-13(18(20)21)14-10(12)5-4-6-11(14)16/h4-9H,1-3H3
• InChIKey: WMSZWUFOALWDPB-UHFFFAOYSA-N
• XLogP: 3.51
• TPSA: 63.45 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	290.29
LogP ≤ 5	3.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-4-nitronaphthalen-1-yl)-N,2-dimethylpropanamide?

The IUPAC name of N-(5-fluoro-4-nitronaphthalen-1-yl)-N,2-dimethylpropanamide (CID 142129643) is N-(5-fluoro-4-nitronaphthalen-1-yl)-N,2-dimethylpropanamide.

What is the SMILES notation for N-(5-fluoro-4-nitronaphthalen-1-yl)-N,2-dimethylpropanamide?

The canonical SMILES for N-(5-fluoro-4-nitronaphthalen-1-yl)-N,2-dimethylpropanamide is CC(C)C(=O)N(C)c1ccc([N+](=O)[O-])c2c(F)cccc12.

What is the InChIKey of N-(5-fluoro-4-nitronaphthalen-1-yl)-N,2-dimethylpropanamide?

The InChIKey is WMSZWUFOALWDPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O3/c1-9(2)15(19)17(3)12-7-8-13(18(20)21)14-10(12)5-4-6-11(14)16/h4-9H,1-3H3.

What are the key properties of N-(5-fluoro-4-nitronaphthalen-1-yl)-N,2-dimethylpropanamide?

N-(5-fluoro-4-nitronaphthalen-1-yl)-N,2-dimethylpropanamide has a molecular weight of 290.29 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-fluoro-4-nitronaphthalen-1-yl)-N,2-dimethylpropanamide is sourced from PubChem (CID 142129643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 142129643 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.