(2R)-2-[[(3R)-3-(4-fluoro-3-methoxyphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-N-methyl-2-phenylacetamide

C25H25F4N3O2 — CID 69042231

About (2R)-2-[[(3R)-3-(4-fluoro-3-methoxyphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-N-methyl-2-phenylacetamide

(2R)-2-[[(3R)-3-(4-fluoro-3-methoxyphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-N-methyl-2-phenylacetamide (PubChem CID 69042231) has the molecular formula C25H25F4N3O2 and a molecular weight of 475.49 g/mol. Its IUPAC name is (2R)-2-[[(3R)-3-(4-fluoro-3-methoxyphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-N-methyl-2-phenylacetamide.

Molecular Properties

• Compound Name: (2R)-2-[[(3R)-3-(4-fluoro-3-methoxyphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-N-methyl-2-phenylacetamide
• PubChem CID: 69042231
• Molecular Formula: C25H25F4N3O2
• Molecular Weight: 475.49 g/mol
• Exact Mass: 475.19
• IUPAC Name: (2R)-2-[[(3R)-3-(4-fluoro-3-methoxyphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-N-methyl-2-phenylacetamide
• SMILES: CNC(=O)[C@H](NCC[C@@H](c1ccc(C(F)(F)F)nc1)c1ccc(F)c(OC)c1)c1ccccc1
• InChI: InChI=1S/C25H25F4N3O2/c1-30-24(33)23(16-6-4-3-5-7-16)31-13-12-19(17-8-10-20(26)21(14-17)34-2)18-9-11-22(32-15-18)25(27,28)29/h3-11,14-15,19,23,31H,12-13H2,1-2H3,(H,30,33)/t19-,23-/m1/s1
• InChIKey: IOMSUWBUXOPICP-AUSIDOKSSA-N
• XLogP: 4.85
• TPSA: 63.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	475.49
LogP ≤ 5	4.85
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(3R)-3-(4-fluoro-3-methoxyphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-N-methyl-2-phenylacetamide?

The IUPAC name of (2R)-2-[[(3R)-3-(4-fluoro-3-methoxyphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-N-methyl-2-phenylacetamide (CID 69042231) is (2R)-2-[[(3R)-3-(4-fluoro-3-methoxyphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-N-methyl-2-phenylacetamide.

What is the SMILES notation for (2R)-2-[[(3R)-3-(4-fluoro-3-methoxyphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-N-methyl-2-phenylacetamide?

The canonical SMILES for (2R)-2-[[(3R)-3-(4-fluoro-3-methoxyphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-N-methyl-2-phenylacetamide is CNC(=O)[C@H](NCC[C@@H](c1ccc(C(F)(F)F)nc1)c1ccc(F)c(OC)c1)c1ccccc1.

What is the InChIKey of (2R)-2-[[(3R)-3-(4-fluoro-3-methoxyphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-N-methyl-2-phenylacetamide?

The InChIKey is IOMSUWBUXOPICP-AUSIDOKSSA-N. The full InChI is InChI=1S/C25H25F4N3O2/c1-30-24(33)23(16-6-4-3-5-7-16)31-13-12-19(17-8-10-20(26)21(14-17)34-2)18-9-11-22(32-15-18)25(27,28)29/h3-11,14-15,19,23,31H,12-13H2,1-2H3,(H,30,33)/t19-,23-/m1/s1.

What are the key properties of (2R)-2-[[(3R)-3-(4-fluoro-3-methoxyphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-N-methyl-2-phenylacetamide?

(2R)-2-[[(3R)-3-(4-fluoro-3-methoxyphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-N-methyl-2-phenylacetamide has a molecular weight of 475.49 g/mol, XLogP of 4.85, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-[[(3R)-3-(4-fluoro-3-methoxyphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-N-methyl-2-phenylacetamide is sourced from PubChem (CID 69042231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).