(2S)-2-[[(1R)-1-(3-chlorophenyl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide

C25H24ClF3N2O — CID 68769278

About (2S)-2-[[(1R)-1-(3-chlorophenyl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide

(2S)-2-[[(1R)-1-(3-chlorophenyl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide (PubChem CID 68769278) has the molecular formula C25H24ClF3N2O and a molecular weight of 460.93 g/mol. Its IUPAC name is (2S)-2-[[(1R)-1-(3-chlorophenyl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide.

Molecular Properties

• Compound Name: (2S)-2-[[(1R)-1-(3-chlorophenyl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide
• PubChem CID: 68769278
• Molecular Formula: C25H24ClF3N2O
• Molecular Weight: 460.93 g/mol
• Exact Mass: 460.15
• IUPAC Name: (2S)-2-[[(1R)-1-(3-chlorophenyl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide
• SMILES: CNC(=O)[C@@H](N[C@H](CCc1ccc(C(F)(F)F)cc1)c1cccc(Cl)c1)c1ccccc1
• InChI: InChI=1S/C25H24ClF3N2O/c1-30-24(32)23(18-6-3-2-4-7-18)31-22(19-8-5-9-21(26)16-19)15-12-17-10-13-20(14-11-17)25(27,28)29/h2-11,13-14,16,22-23,31H,12,15H2,1H3,(H,30,32)/t22-,23+/m1/s1
• InChIKey: PCOCLQOVYWDXKW-PKTZIBPZSA-N
• XLogP: 6.11
• TPSA: 41.13 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	460.93
LogP ≤ 5	6.11
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(1R)-1-(3-chlorophenyl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide?

The IUPAC name of (2S)-2-[[(1R)-1-(3-chlorophenyl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide (CID 68769278) is (2S)-2-[[(1R)-1-(3-chlorophenyl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide.

What is the SMILES notation for (2S)-2-[[(1R)-1-(3-chlorophenyl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide?

The canonical SMILES for (2S)-2-[[(1R)-1-(3-chlorophenyl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide is CNC(=O)[C@@H](N[C@H](CCc1ccc(C(F)(F)F)cc1)c1cccc(Cl)c1)c1ccccc1.

What is the InChIKey of (2S)-2-[[(1R)-1-(3-chlorophenyl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide?

The InChIKey is PCOCLQOVYWDXKW-PKTZIBPZSA-N. The full InChI is InChI=1S/C25H24ClF3N2O/c1-30-24(32)23(18-6-3-2-4-7-18)31-22(19-8-5-9-21(26)16-19)15-12-17-10-13-20(14-11-17)25(27,28)29/h2-11,13-14,16,22-23,31H,12,15H2,1H3,(H,30,32)/t22-,23+/m1/s1.

What are the key properties of (2S)-2-[[(1R)-1-(3-chlorophenyl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide?

(2S)-2-[[(1R)-1-(3-chlorophenyl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide has a molecular weight of 460.93 g/mol, XLogP of 6.11, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-[[(1R)-1-(3-chlorophenyl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide is sourced from PubChem (CID 68769278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).