N-[4-[(2R)-2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]pyrrolidine-1-carbonyl]phenyl]acetamide

C25H24ClN3O2 — CID 95818332

About N-[4-[(2R)-2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]pyrrolidine-1-carbonyl]phenyl]acetamide

N-[4-[(2R)-2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]pyrrolidine-1-carbonyl]phenyl]acetamide (PubChem CID 95818332) has the molecular formula C25H24ClN3O2 and a molecular weight of 433.94 g/mol. Its IUPAC name is N-[4-[(2R)-2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]pyrrolidine-1-carbonyl]phenyl]acetamide.

Molecular Properties

• Compound Name: N-[4-[(2R)-2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]pyrrolidine-1-carbonyl]phenyl]acetamide
• PubChem CID: 95818332
• Molecular Formula: C25H24ClN3O2
• Molecular Weight: 433.94 g/mol
• Exact Mass: 433.16
• IUPAC Name: N-[4-[(2R)-2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]pyrrolidine-1-carbonyl]phenyl]acetamide
• SMILES: CC(=O)Nc1ccc(C(=O)N2CCC[C@@H]2c2cccc(Cc3ccccc3Cl)n2)cc1
• InChI: InChI=1S/C25H24ClN3O2/c1-17(30)27-20-13-11-18(12-14-20)25(31)29-15-5-10-24(29)23-9-4-7-21(28-23)16-19-6-2-3-8-22(19)26/h2-4,6-9,11-14,24H,5,10,15-16H2,1H3,(H,27,30)/t24-/m1/s1
• InChIKey: FTLOJJBQPQBWOE-XMMPIXPASA-N
• XLogP: 5.26
• TPSA: 62.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	433.94
LogP ≤ 5	5.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2R)-2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]pyrrolidine-1-carbonyl]phenyl]acetamide?

The IUPAC name of N-[4-[(2R)-2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]pyrrolidine-1-carbonyl]phenyl]acetamide (CID 95818332) is N-[4-[(2R)-2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]pyrrolidine-1-carbonyl]phenyl]acetamide.

What is the SMILES notation for N-[4-[(2R)-2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]pyrrolidine-1-carbonyl]phenyl]acetamide?

The canonical SMILES for N-[4-[(2R)-2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]pyrrolidine-1-carbonyl]phenyl]acetamide is CC(=O)Nc1ccc(C(=O)N2CCC[C@@H]2c2cccc(Cc3ccccc3Cl)n2)cc1.

What is the InChIKey of N-[4-[(2R)-2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]pyrrolidine-1-carbonyl]phenyl]acetamide?

The InChIKey is FTLOJJBQPQBWOE-XMMPIXPASA-N. The full InChI is InChI=1S/C25H24ClN3O2/c1-17(30)27-20-13-11-18(12-14-20)25(31)29-15-5-10-24(29)23-9-4-7-21(28-23)16-19-6-2-3-8-22(19)26/h2-4,6-9,11-14,24H,5,10,15-16H2,1H3,(H,27,30)/t24-/m1/s1.

What are the key properties of N-[4-[(2R)-2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]pyrrolidine-1-carbonyl]phenyl]acetamide?

N-[4-[(2R)-2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]pyrrolidine-1-carbonyl]phenyl]acetamide has a molecular weight of 433.94 g/mol, XLogP of 5.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[(2R)-2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]pyrrolidine-1-carbonyl]phenyl]acetamide is sourced from PubChem (CID 95818332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).