N-[2-[5-(2-fluorophenyl)pyrimidin-2-yl]oxyethyl]-4-methylbenzamide

C₂₀H₁₈FN₃O₂ — CID 162753036

About N-[2-[5-(2-fluorophenyl)pyrimidin-2-yl]oxyethyl]-4-methylbenzamide

N-[2-[5-(2-fluorophenyl)pyrimidin-2-yl]oxyethyl]-4-methylbenzamide (PubChem CID 162753036) has the molecular formula C₂₀H₁₈FN₃O₂ and a molecular weight of 351.38 g/mol. Its IUPAC name is N-[2-[5-(2-fluorophenyl)pyrimidin-2-yl]oxyethyl]-4-methylbenzamide.

Molecular Properties

• Compound Name: N-[2-[5-(2-fluorophenyl)pyrimidin-2-yl]oxyethyl]-4-methylbenzamide
• PubChem CID: 162753036
• Molecular Formula: C₂₀H₁₈FN₃O₂
• Molecular Weight: 351.38 g/mol
• Exact Mass: 351.14
• IUPAC Name: N-[2-[5-(2-fluorophenyl)pyrimidin-2-yl]oxyethyl]-4-methylbenzamide
• SMILES: Cc1ccc(C(=O)NCCOc2ncc(-c3ccccc3F)cn2)cc1
• InChI: InChI=1S/C20H18FN3O2/c1-14-6-8-15(9-7-14)19(25)22-10-11-26-20-23-12-16(13-24-20)17-4-2-3-5-18(17)21/h2-9,12-13H,10-11H2,1H3,(H,22,25)
• InChIKey: LFGQIUXMRPBAAV-UHFFFAOYSA-N
• XLogP: 3.40
• TPSA: 64.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	351.38
LogP ≤ 5	3.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(2-fluorophenyl)pyrimidin-2-yl]oxyethyl]-4-methylbenzamide?

The IUPAC name of N-[2-[5-(2-fluorophenyl)pyrimidin-2-yl]oxyethyl]-4-methylbenzamide (CID 162753036) is N-[2-[5-(2-fluorophenyl)pyrimidin-2-yl]oxyethyl]-4-methylbenzamide.

What is the SMILES notation for N-[2-[5-(2-fluorophenyl)pyrimidin-2-yl]oxyethyl]-4-methylbenzamide?

The canonical SMILES for N-[2-[5-(2-fluorophenyl)pyrimidin-2-yl]oxyethyl]-4-methylbenzamide is Cc1ccc(C(=O)NCCOc2ncc(-c3ccccc3F)cn2)cc1.

What is the InChIKey of N-[2-[5-(2-fluorophenyl)pyrimidin-2-yl]oxyethyl]-4-methylbenzamide?

The InChIKey is LFGQIUXMRPBAAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O2/c1-14-6-8-15(9-7-14)19(25)22-10-11-26-20-23-12-16(13-24-20)17-4-2-3-5-18(17)21/h2-9,12-13H,10-11H2,1H3,(H,22,25).

What are the key properties of N-[2-[5-(2-fluorophenyl)pyrimidin-2-yl]oxyethyl]-4-methylbenzamide?

N-[2-[5-(2-fluorophenyl)pyrimidin-2-yl]oxyethyl]-4-methylbenzamide has a molecular weight of 351.38 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[5-(2-fluorophenyl)pyrimidin-2-yl]oxyethyl]-4-methylbenzamide is sourced from PubChem (CID 162753036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 162753036 — identifiers, structure, computed properties (public domain)

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