7-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]heptanamide

C₁₇H₂₇FN₂O — CID 119796098

About 7-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]heptanamide

7-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]heptanamide (PubChem CID 119796098) has the molecular formula C₁₇H₂₇FN₂O and a molecular weight of 294.41 g/mol. Its IUPAC name is 7-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]heptanamide.

Molecular Properties

• Compound Name: 7-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]heptanamide
• PubChem CID: 119796098
• Molecular Formula: C₁₇H₂₇FN₂O
• Molecular Weight: 294.41 g/mol
• Exact Mass: 294.21
• IUPAC Name: 7-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]heptanamide
• SMILES: CC(C)(CNC(=O)CCCCCCN)c1cccc(F)c1
• InChI: InChI=1S/C17H27FN2O/c1-17(2,14-8-7-9-15(18)12-14)13-20-16(21)10-5-3-4-6-11-19/h7-9,12H,3-6,10-11,13,19H2,1-2H3,(H,20,21)
• InChIKey: RSEAYVGHPGWPHN-UHFFFAOYSA-N
• XLogP: 3.13
• TPSA: 55.12 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 9
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	294.41
LogP ≤ 5	3.13
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]heptanamide?

The IUPAC name of 7-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]heptanamide (CID 119796098) is 7-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]heptanamide.

What is the SMILES notation for 7-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]heptanamide?

The canonical SMILES for 7-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]heptanamide is CC(C)(CNC(=O)CCCCCCN)c1cccc(F)c1.

What is the InChIKey of 7-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]heptanamide?

The InChIKey is RSEAYVGHPGWPHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2O/c1-17(2,14-8-7-9-15(18)12-14)13-20-16(21)10-5-3-4-6-11-19/h7-9,12H,3-6,10-11,13,19H2,1-2H3,(H,20,21).

What are the key properties of 7-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]heptanamide?

7-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]heptanamide has a molecular weight of 294.41 g/mol, XLogP of 3.13, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 7-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]heptanamide is sourced from PubChem (CID 119796098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 119796098 — identifiers, structure, computed properties (public domain)

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