N-(4-fluoropyrrolidin-3-yl)-4-phenylbenzamide;formic acid

C₁₈H₁₉FN₂O₃ — CID 175088163

About N-(4-fluoropyrrolidin-3-yl)-4-phenylbenzamide;formic acid

N-(4-fluoropyrrolidin-3-yl)-4-phenylbenzamide;formic acid (PubChem CID 175088163) has the molecular formula C₁₈H₁₉FN₂O₃ and a molecular weight of 330.36 g/mol. Its IUPAC name is N-(4-fluoropyrrolidin-3-yl)-4-phenylbenzamide;formic acid.

Molecular Properties

• Compound Name: N-(4-fluoropyrrolidin-3-yl)-4-phenylbenzamide;formic acid
• PubChem CID: 175088163
• Molecular Formula: C₁₈H₁₉FN₂O₃
• Molecular Weight: 330.36 g/mol
• Exact Mass: 330.14
• IUPAC Name: N-(4-fluoropyrrolidin-3-yl)-4-phenylbenzamide;formic acid
• SMILES: O=C(NC1CNCC1F)c1ccc(-c2ccccc2)cc1.O=CO
• InChI: InChI=1S/C17H17FN2O.CH2O2/c18-15-10-19-11-16(15)20-17(21)14-8-6-13(7-9-14)12-4-2-1-3-5-12;2-1-3/h1-9,15-16,19H,10-11H2,(H,20,21);1H,(H,2,3)
• InChIKey: SREPBJZLLXLCCS-UHFFFAOYSA-N
• XLogP: 2.09
• TPSA: 78.43 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	330.36
LogP ≤ 5	2.09
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoropyrrolidin-3-yl)-4-phenylbenzamide;formic acid?

The IUPAC name of N-(4-fluoropyrrolidin-3-yl)-4-phenylbenzamide;formic acid (CID 175088163) is N-(4-fluoropyrrolidin-3-yl)-4-phenylbenzamide;formic acid.

What is the SMILES notation for N-(4-fluoropyrrolidin-3-yl)-4-phenylbenzamide;formic acid?

The canonical SMILES for N-(4-fluoropyrrolidin-3-yl)-4-phenylbenzamide;formic acid is O=C(NC1CNCC1F)c1ccc(-c2ccccc2)cc1.O=CO.

What is the InChIKey of N-(4-fluoropyrrolidin-3-yl)-4-phenylbenzamide;formic acid?

The InChIKey is SREPBJZLLXLCCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O.CH2O2/c18-15-10-19-11-16(15)20-17(21)14-8-6-13(7-9-14)12-4-2-1-3-5-12;2-1-3/h1-9,15-16,19H,10-11H2,(H,20,21);1H,(H,2,3).

What are the key properties of N-(4-fluoropyrrolidin-3-yl)-4-phenylbenzamide;formic acid?

N-(4-fluoropyrrolidin-3-yl)-4-phenylbenzamide;formic acid has a molecular weight of 330.36 g/mol, XLogP of 2.09, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-fluoropyrrolidin-3-yl)-4-phenylbenzamide;formic acid is sourced from PubChem (CID 175088163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 175088163 — identifiers, structure, computed properties (public domain)

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