N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide

C24H21F3N2O2 — CID 118247039

About N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide

N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide (PubChem CID 118247039) has the molecular formula C24H21F3N2O2 and a molecular weight of 426.44 g/mol. Its IUPAC name is N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide.

Molecular Properties

• Compound Name: N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide
• PubChem CID: 118247039
• Molecular Formula: C24H21F3N2O2
• Molecular Weight: 426.44 g/mol
• Exact Mass: 426.16
• IUPAC Name: N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide
• SMILES: C[C@H](c1cccc(C(F)(F)F)c1)N(C(=O)c1ccccc1)[C@@H](C(N)=O)c1ccccc1
• InChI: InChI=1S/C24H21F3N2O2/c1-16(19-13-8-14-20(15-19)24(25,26)27)29(23(31)18-11-6-3-7-12-18)21(22(28)30)17-9-4-2-5-10-17/h2-16,21H,1H3,(H2,28,30)/t16-,21-/m1/s1
• InChIKey: IUGDEYSZWFDYOV-IIBYNOLFSA-N
• XLogP: 5.14
• TPSA: 63.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	426.44
LogP ≤ 5	5.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide?

The IUPAC name of N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide (CID 118247039) is N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide.

What is the SMILES notation for N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide?

The canonical SMILES for N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide is C[C@H](c1cccc(C(F)(F)F)c1)N(C(=O)c1ccccc1)[C@@H](C(N)=O)c1ccccc1.

What is the InChIKey of N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide?

The InChIKey is IUGDEYSZWFDYOV-IIBYNOLFSA-N. The full InChI is InChI=1S/C24H21F3N2O2/c1-16(19-13-8-14-20(15-19)24(25,26)27)29(23(31)18-11-6-3-7-12-18)21(22(28)30)17-9-4-2-5-10-17/h2-16,21H,1H3,(H2,28,30)/t16-,21-/m1/s1.

What are the key properties of N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide?

N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide has a molecular weight of 426.44 g/mol, XLogP of 5.14, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide is sourced from PubChem (CID 118247039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).