3-(3-fluorophenyl)-N-(3-phenylpropyl)prop-2-enamide

C₁₈H₁₈FNO — CID 4810838

About 3-(3-fluorophenyl)-N-(3-phenylpropyl)prop-2-enamide

3-(3-fluorophenyl)-N-(3-phenylpropyl)prop-2-enamide (PubChem CID 4810838) has the molecular formula C₁₈H₁₈FNO and a molecular weight of 283.35 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-N-(3-phenylpropyl)prop-2-enamide.

Molecular Properties

• Compound Name: 3-(3-fluorophenyl)-N-(3-phenylpropyl)prop-2-enamide
• PubChem CID: 4810838
• Molecular Formula: C₁₈H₁₈FNO
• Molecular Weight: 283.35 g/mol
• Exact Mass: 283.14
• IUPAC Name: 3-(3-fluorophenyl)-N-(3-phenylpropyl)prop-2-enamide
• SMILES: O=C(C=Cc1cccc(F)c1)NCCCc1ccccc1
• InChI: InChI=1S/C18H18FNO/c19-17-10-4-8-16(14-17)11-12-18(21)20-13-5-9-15-6-2-1-3-7-15/h1-4,6-8,10-12,14H,5,9,13H2,(H,20,21)
• InChIKey: AGYLAMOLHXCSFU-UHFFFAOYSA-N
• XLogP: 3.59
• TPSA: 29.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Rotatable Bonds: 6
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	283.35
LogP ≤ 5	3.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-N-(3-phenylpropyl)prop-2-enamide?

The IUPAC name of 3-(3-fluorophenyl)-N-(3-phenylpropyl)prop-2-enamide (CID 4810838) is 3-(3-fluorophenyl)-N-(3-phenylpropyl)prop-2-enamide.

What is the SMILES notation for 3-(3-fluorophenyl)-N-(3-phenylpropyl)prop-2-enamide?

The canonical SMILES for 3-(3-fluorophenyl)-N-(3-phenylpropyl)prop-2-enamide is O=C(C=Cc1cccc(F)c1)NCCCc1ccccc1.

What is the InChIKey of 3-(3-fluorophenyl)-N-(3-phenylpropyl)prop-2-enamide?

The InChIKey is AGYLAMOLHXCSFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO/c19-17-10-4-8-16(14-17)11-12-18(21)20-13-5-9-15-6-2-1-3-7-15/h1-4,6-8,10-12,14H,5,9,13H2,(H,20,21).

What are the key properties of 3-(3-fluorophenyl)-N-(3-phenylpropyl)prop-2-enamide?

3-(3-fluorophenyl)-N-(3-phenylpropyl)prop-2-enamide has a molecular weight of 283.35 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3-fluorophenyl)-N-(3-phenylpropyl)prop-2-enamide is sourced from PubChem (CID 4810838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 4810838 — identifiers, structure, computed properties (public domain)

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