2-[2-amino-4-(trifluoromethyl)phenyl]-N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide;hydrochloride

C22H27ClF3N3O — CID 10343272

About 2-[2-amino-4-(trifluoromethyl)phenyl]-N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide;hydrochloride

2-[2-amino-4-(trifluoromethyl)phenyl]-N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide;hydrochloride (PubChem CID 10343272) has the molecular formula C22H27ClF3N3O and a molecular weight of 441.93 g/mol. Its IUPAC name is 2-[2-amino-4-(trifluoromethyl)phenyl]-N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide;hydrochloride.

Molecular Properties

• Compound Name: 2-[2-amino-4-(trifluoromethyl)phenyl]-N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide;hydrochloride
• PubChem CID: 10343272
• Molecular Formula: C22H27ClF3N3O
• Molecular Weight: 441.93 g/mol
• Exact Mass: 441.18
• IUPAC Name: 2-[2-amino-4-(trifluoromethyl)phenyl]-N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide;hydrochloride
• SMILES: CN(C(=O)Cc1ccc(C(F)(F)F)cc1N)[C@H](CN1CCCC1)c1ccccc1.Cl
• InChI: InChI=1S/C22H26F3N3O.ClH/c1-27(20(15-28-11-5-6-12-28)16-7-3-2-4-8-16)21(29)13-17-9-10-18(14-19(17)26)22(23,24)25;/h2-4,7-10,14,20H,5-6,11-13,15,26H2,1H3;1H/t20-;/m1./s1
• InChIKey: HTDWLZJUDALEMG-VEIFNGETSA-N
• XLogP: 4.55
• TPSA: 49.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	441.93
LogP ≤ 5	4.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-4-(trifluoromethyl)phenyl]-N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide;hydrochloride?

The IUPAC name of 2-[2-amino-4-(trifluoromethyl)phenyl]-N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide;hydrochloride (CID 10343272) is 2-[2-amino-4-(trifluoromethyl)phenyl]-N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide;hydrochloride.

What is the SMILES notation for 2-[2-amino-4-(trifluoromethyl)phenyl]-N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide;hydrochloride?

The canonical SMILES for 2-[2-amino-4-(trifluoromethyl)phenyl]-N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide;hydrochloride is CN(C(=O)Cc1ccc(C(F)(F)F)cc1N)[C@H](CN1CCCC1)c1ccccc1.Cl.

What is the InChIKey of 2-[2-amino-4-(trifluoromethyl)phenyl]-N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide;hydrochloride?

The InChIKey is HTDWLZJUDALEMG-VEIFNGETSA-N. The full InChI is InChI=1S/C22H26F3N3O.ClH/c1-27(20(15-28-11-5-6-12-28)16-7-3-2-4-8-16)21(29)13-17-9-10-18(14-19(17)26)22(23,24)25;/h2-4,7-10,14,20H,5-6,11-13,15,26H2,1H3;1H/t20-;/m1./s1.

What are the key properties of 2-[2-amino-4-(trifluoromethyl)phenyl]-N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide;hydrochloride?

2-[2-amino-4-(trifluoromethyl)phenyl]-N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide;hydrochloride has a molecular weight of 441.93 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-amino-4-(trifluoromethyl)phenyl]-N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide;hydrochloride is sourced from PubChem (CID 10343272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).