(2S)-2-[[1-(4-fluoro-3-methylphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-2-phenylacetamide

C24H23F4N3O — CID 70294127

About (2S)-2-[[1-(4-fluoro-3-methylphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-2-phenylacetamide

(2S)-2-[[1-(4-fluoro-3-methylphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-2-phenylacetamide (PubChem CID 70294127) has the molecular formula C24H23F4N3O and a molecular weight of 445.46 g/mol. Its IUPAC name is (2S)-2-[[1-(4-fluoro-3-methylphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-2-phenylacetamide.

Molecular Properties

• Compound Name: (2S)-2-[[1-(4-fluoro-3-methylphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-2-phenylacetamide
• PubChem CID: 70294127
• Molecular Formula: C24H23F4N3O
• Molecular Weight: 445.46 g/mol
• Exact Mass: 445.18
• IUPAC Name: (2S)-2-[[1-(4-fluoro-3-methylphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-2-phenylacetamide
• SMILES: Cc1cc(C(CCc2ccc(C(F)(F)F)nc2)N[C@H](C(N)=O)c2ccccc2)ccc1F
• InChI: InChI=1S/C24H23F4N3O/c1-15-13-18(9-10-19(15)25)20(31-22(23(29)32)17-5-3-2-4-6-17)11-7-16-8-12-21(30-14-16)24(26,27)28/h2-6,8-10,12-14,20,22,31H,7,11H2,1H3,(H2,29,32)/t20?,22-/m0/s1
• InChIKey: YDXCJCIOURDNJP-IAXKEJLGSA-N
• XLogP: 5.04
• TPSA: 68.01 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	445.46
LogP ≤ 5	5.04
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[1-(4-fluoro-3-methylphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-2-phenylacetamide?

The IUPAC name of (2S)-2-[[1-(4-fluoro-3-methylphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-2-phenylacetamide (CID 70294127) is (2S)-2-[[1-(4-fluoro-3-methylphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-2-phenylacetamide.

What is the SMILES notation for (2S)-2-[[1-(4-fluoro-3-methylphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-2-phenylacetamide?

The canonical SMILES for (2S)-2-[[1-(4-fluoro-3-methylphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-2-phenylacetamide is Cc1cc(C(CCc2ccc(C(F)(F)F)nc2)N[C@H](C(N)=O)c2ccccc2)ccc1F.

What is the InChIKey of (2S)-2-[[1-(4-fluoro-3-methylphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-2-phenylacetamide?

The InChIKey is YDXCJCIOURDNJP-IAXKEJLGSA-N. The full InChI is InChI=1S/C24H23F4N3O/c1-15-13-18(9-10-19(15)25)20(31-22(23(29)32)17-5-3-2-4-6-17)11-7-16-8-12-21(30-14-16)24(26,27)28/h2-6,8-10,12-14,20,22,31H,7,11H2,1H3,(H2,29,32)/t20?,22-/m0/s1.

What are the key properties of (2S)-2-[[1-(4-fluoro-3-methylphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-2-phenylacetamide?

(2S)-2-[[1-(4-fluoro-3-methylphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-2-phenylacetamide has a molecular weight of 445.46 g/mol, XLogP of 5.04, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-[[1-(4-fluoro-3-methylphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-2-phenylacetamide is sourced from PubChem (CID 70294127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).