2-[[(1R)-1-(4-fluoro-3-methylphenyl)-3-[5-(trifluoromethyl)-2-pyridinyl]propyl]amino]-N-methyl-2-phenylacetamide

C25H25F4N3O — CID 68768464

About 2-[[(1R)-1-(4-fluoro-3-methylphenyl)-3-[5-(trifluoromethyl)-2-pyridinyl]propyl]amino]-N-methyl-2-phenylacetamide

2-[[(1R)-1-(4-fluoro-3-methylphenyl)-3-[5-(trifluoromethyl)-2-pyridinyl]propyl]amino]-N-methyl-2-phenylacetamide (PubChem CID 68768464) has the molecular formula C25H25F4N3O and a molecular weight of 459.49 g/mol. Its IUPAC name is 2-[[(1R)-1-(4-fluoro-3-methylphenyl)-3-[5-(trifluoromethyl)-2-pyridinyl]propyl]amino]-N-methyl-2-phenylacetamide.

Molecular Properties

• Compound Name: 2-[[(1R)-1-(4-fluoro-3-methylphenyl)-3-[5-(trifluoromethyl)-2-pyridinyl]propyl]amino]-N-methyl-2-phenylacetamide
• PubChem CID: 68768464
• Molecular Formula: C25H25F4N3O
• Molecular Weight: 459.49 g/mol
• Exact Mass: 459.19
• IUPAC Name: 2-[[(1R)-1-(4-fluoro-3-methylphenyl)-3-[5-(trifluoromethyl)-2-pyridinyl]propyl]amino]-N-methyl-2-phenylacetamide
• SMILES: CNC(=O)C(N[C@H](CCc1ccc(C(F)(F)F)cn1)c1ccc(F)c(C)c1)c1ccccc1
• InChI: InChI=1S/C25H25F4N3O/c1-16-14-18(8-12-21(16)26)22(13-11-20-10-9-19(15-31-20)25(27,28)29)32-23(24(33)30-2)17-6-4-3-5-7-17/h3-10,12,14-15,22-23,32H,11,13H2,1-2H3,(H,30,33)/t22-,23?/m1/s1
• InChIKey: ZDEXHAAIFHYOOU-WTQRLHSKSA-N
• XLogP: 5.30
• TPSA: 54.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	459.49
LogP ≤ 5	5.30
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-1-(4-fluoro-3-methylphenyl)-3-[5-(trifluoromethyl)-2-pyridinyl]propyl]amino]-N-methyl-2-phenylacetamide?

The IUPAC name of 2-[[(1R)-1-(4-fluoro-3-methylphenyl)-3-[5-(trifluoromethyl)-2-pyridinyl]propyl]amino]-N-methyl-2-phenylacetamide (CID 68768464) is 2-[[(1R)-1-(4-fluoro-3-methylphenyl)-3-[5-(trifluoromethyl)-2-pyridinyl]propyl]amino]-N-methyl-2-phenylacetamide.

What is the SMILES notation for 2-[[(1R)-1-(4-fluoro-3-methylphenyl)-3-[5-(trifluoromethyl)-2-pyridinyl]propyl]amino]-N-methyl-2-phenylacetamide?

The canonical SMILES for 2-[[(1R)-1-(4-fluoro-3-methylphenyl)-3-[5-(trifluoromethyl)-2-pyridinyl]propyl]amino]-N-methyl-2-phenylacetamide is CNC(=O)C(N[C@H](CCc1ccc(C(F)(F)F)cn1)c1ccc(F)c(C)c1)c1ccccc1.

What is the InChIKey of 2-[[(1R)-1-(4-fluoro-3-methylphenyl)-3-[5-(trifluoromethyl)-2-pyridinyl]propyl]amino]-N-methyl-2-phenylacetamide?

The InChIKey is ZDEXHAAIFHYOOU-WTQRLHSKSA-N. The full InChI is InChI=1S/C25H25F4N3O/c1-16-14-18(8-12-21(16)26)22(13-11-20-10-9-19(15-31-20)25(27,28)29)32-23(24(33)30-2)17-6-4-3-5-7-17/h3-10,12,14-15,22-23,32H,11,13H2,1-2H3,(H,30,33)/t22-,23?/m1/s1.

What are the key properties of 2-[[(1R)-1-(4-fluoro-3-methylphenyl)-3-[5-(trifluoromethyl)-2-pyridinyl]propyl]amino]-N-methyl-2-phenylacetamide?

2-[[(1R)-1-(4-fluoro-3-methylphenyl)-3-[5-(trifluoromethyl)-2-pyridinyl]propyl]amino]-N-methyl-2-phenylacetamide has a molecular weight of 459.49 g/mol, XLogP of 5.30, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[(1R)-1-(4-fluoro-3-methylphenyl)-3-[5-(trifluoromethyl)-2-pyridinyl]propyl]amino]-N-methyl-2-phenylacetamide is sourced from PubChem (CID 68768464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).