(2R)-3,3,3-trifluoro-N-[(2R)-2-(5-fluoro-2-pyridinyl)-2-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-2-phenylpropanamide

C23H16F8N2O — CID 143689138

About (2R)-3,3,3-trifluoro-N-[(2R)-2-(5-fluoro-2-pyridinyl)-2-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-2-phenylpropanamide

(2R)-3,3,3-trifluoro-N-[(2R)-2-(5-fluoro-2-pyridinyl)-2-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-2-phenylpropanamide (PubChem CID 143689138) has the molecular formula C23H16F8N2O and a molecular weight of 488.38 g/mol. Its IUPAC name is (2R)-3,3,3-trifluoro-N-[(2R)-2-(5-fluoro-2-pyridinyl)-2-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-2-phenylpropanamide.

Molecular Properties

• Compound Name: (2R)-3,3,3-trifluoro-N-[(2R)-2-(5-fluoro-2-pyridinyl)-2-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-2-phenylpropanamide
• PubChem CID: 143689138
• Molecular Formula: C23H16F8N2O
• Molecular Weight: 488.38 g/mol
• Exact Mass: 488.11
• IUPAC Name: (2R)-3,3,3-trifluoro-N-[(2R)-2-(5-fluoro-2-pyridinyl)-2-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-2-phenylpropanamide
• SMILES: O=C(NC[C@@H](c1cc(F)cc(C(F)(F)F)c1)c1ccc(F)cn1)[C@@H](c1ccccc1)C(F)(F)F
• InChI: InChI=1S/C23H16F8N2O/c24-16-6-7-19(32-11-16)18(14-8-15(22(26,27)28)10-17(25)9-14)12-33-21(34)20(23(29,30)31)13-4-2-1-3-5-13/h1-11,18,20H,12H2,(H,33,34)/t18-,20+/m0/s1
• InChIKey: OPBKISNEBHEUMH-AZUAARDMSA-N
• XLogP: 5.97
• TPSA: 41.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	488.38
LogP ≤ 5	5.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of (2R)-3,3,3-trifluoro-N-[(2R)-2-(5-fluoro-2-pyridinyl)-2-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-2-phenylpropanamide?

The IUPAC name of (2R)-3,3,3-trifluoro-N-[(2R)-2-(5-fluoro-2-pyridinyl)-2-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-2-phenylpropanamide (CID 143689138) is (2R)-3,3,3-trifluoro-N-[(2R)-2-(5-fluoro-2-pyridinyl)-2-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-2-phenylpropanamide.

What is the SMILES notation for (2R)-3,3,3-trifluoro-N-[(2R)-2-(5-fluoro-2-pyridinyl)-2-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-2-phenylpropanamide?

The canonical SMILES for (2R)-3,3,3-trifluoro-N-[(2R)-2-(5-fluoro-2-pyridinyl)-2-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-2-phenylpropanamide is O=C(NC[C@@H](c1cc(F)cc(C(F)(F)F)c1)c1ccc(F)cn1)[C@@H](c1ccccc1)C(F)(F)F.

What is the InChIKey of (2R)-3,3,3-trifluoro-N-[(2R)-2-(5-fluoro-2-pyridinyl)-2-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-2-phenylpropanamide?

The InChIKey is OPBKISNEBHEUMH-AZUAARDMSA-N. The full InChI is InChI=1S/C23H16F8N2O/c24-16-6-7-19(32-11-16)18(14-8-15(22(26,27)28)10-17(25)9-14)12-33-21(34)20(23(29,30)31)13-4-2-1-3-5-13/h1-11,18,20H,12H2,(H,33,34)/t18-,20+/m0/s1.

What are the key properties of (2R)-3,3,3-trifluoro-N-[(2R)-2-(5-fluoro-2-pyridinyl)-2-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-2-phenylpropanamide?

(2R)-3,3,3-trifluoro-N-[(2R)-2-(5-fluoro-2-pyridinyl)-2-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-2-phenylpropanamide has a molecular weight of 488.38 g/mol, XLogP of 5.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-3,3,3-trifluoro-N-[(2R)-2-(5-fluoro-2-pyridinyl)-2-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-2-phenylpropanamide is sourced from PubChem (CID 143689138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).