Flutamide

C₁₁H₁₁F₃N₂O₃ — CID 3397

About Flutamide

Flutamide (PubChem CID 3397) has the molecular formula C₁₁H₁₁F₃N₂O₃ and a molecular weight of 276.21 g/mol. Its IUPAC name is 2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

• Compound Name: Flutamide
• PubChem CID: 3397
• Molecular Formula: C₁₁H₁₁F₃N₂O₃
• Molecular Weight: 276.21 g/mol
• Exact Mass: 276.07
• IUPAC Name: 2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide
• SMILES: CC(C)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1
• InChI: InChI=1S/C11H11F3N2O3/c1-6(2)10(17)15-7-3-4-9(16(18)19)8(5-7)11(12,13)14/h3-6H,1-2H3,(H,15,17)
• InChIKey: MKXKFYHWDHIYRV-UHFFFAOYSA-N
• XLogP: 3.21
• TPSA: 72.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	276.21
LogP ≤ 5	3.21
H-Bond Donors ≤ 5	1
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 Flutamide?

The IUPAC name of Flutamide (CID 3397) is 2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide.

What is the SMILES notation for Flutamide?

The canonical SMILES for Flutamide is CC(C)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1.

What is the InChIKey of Flutamide?

The InChIKey is MKXKFYHWDHIYRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O3/c1-6(2)10(17)15-7-3-4-9(16(18)19)8(5-7)11(12,13)14/h3-6H,1-2H3,(H,15,17).

What are the key properties of Flutamide?

Flutamide has a molecular weight of 276.21 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for Flutamide is sourced from PubChem (CID 3397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 3397 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 1223 — approved-drug record (CC BY-SA 4.0)

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