N-(4-methylphenyl)-3-phenyl-2-pyrrol-1-ylpropanamide

C₂₀H₂₀N₂O — CID 3795809

About N-(4-methylphenyl)-3-phenyl-2-pyrrol-1-ylpropanamide

N-(4-methylphenyl)-3-phenyl-2-pyrrol-1-ylpropanamide (PubChem CID 3795809) has the molecular formula C₂₀H₂₀N₂O and a molecular weight of 304.39 g/mol. Its IUPAC name is N-(4-methylphenyl)-3-phenyl-2-pyrrol-1-ylpropanamide.

Molecular Properties

• Compound Name: N-(4-methylphenyl)-3-phenyl-2-pyrrol-1-ylpropanamide
• PubChem CID: 3795809
• Molecular Formula: C₂₀H₂₀N₂O
• Molecular Weight: 304.39 g/mol
• Exact Mass: 304.16
• IUPAC Name: N-(4-methylphenyl)-3-phenyl-2-pyrrol-1-ylpropanamide
• SMILES: Cc1ccc(NC(=O)C(Cc2ccccc2)n2cccc2)cc1
• InChI: InChI=1S/C20H20N2O/c1-16-9-11-18(12-10-16)21-20(23)19(22-13-5-6-14-22)15-17-7-3-2-4-8-17/h2-14,19H,15H2,1H3,(H,21,23)
• InChIKey: AOMJSBXVZNFOGU-UHFFFAOYSA-N
• XLogP: 4.22
• TPSA: 34.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	304.39
LogP ≤ 5	4.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-3-phenyl-2-pyrrol-1-ylpropanamide?

The IUPAC name of N-(4-methylphenyl)-3-phenyl-2-pyrrol-1-ylpropanamide (CID 3795809) is N-(4-methylphenyl)-3-phenyl-2-pyrrol-1-ylpropanamide.

What is the SMILES notation for N-(4-methylphenyl)-3-phenyl-2-pyrrol-1-ylpropanamide?

The canonical SMILES for N-(4-methylphenyl)-3-phenyl-2-pyrrol-1-ylpropanamide is Cc1ccc(NC(=O)C(Cc2ccccc2)n2cccc2)cc1.

What is the InChIKey of N-(4-methylphenyl)-3-phenyl-2-pyrrol-1-ylpropanamide?

The InChIKey is AOMJSBXVZNFOGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O/c1-16-9-11-18(12-10-16)21-20(23)19(22-13-5-6-14-22)15-17-7-3-2-4-8-17/h2-14,19H,15H2,1H3,(H,21,23).

What are the key properties of N-(4-methylphenyl)-3-phenyl-2-pyrrol-1-ylpropanamide?

N-(4-methylphenyl)-3-phenyl-2-pyrrol-1-ylpropanamide has a molecular weight of 304.39 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-methylphenyl)-3-phenyl-2-pyrrol-1-ylpropanamide is sourced from PubChem (CID 3795809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 3795809 — identifiers, structure, computed properties (public domain)

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