N-[(1R)-2-amino-2-oxo-1-phenylethyl]-2-hydroxy-N-[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]benzamide

C25H21F3N2O3 — CID 118935290

About N-[(1R)-2-amino-2-oxo-1-phenylethyl]-2-hydroxy-N-[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]benzamide

N-[(1R)-2-amino-2-oxo-1-phenylethyl]-2-hydroxy-N-[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]benzamide (PubChem CID 118935290) has the molecular formula C25H21F3N2O3 and a molecular weight of 454.45 g/mol. Its IUPAC name is N-[(1R)-2-amino-2-oxo-1-phenylethyl]-2-hydroxy-N-[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]benzamide.

Molecular Properties

• Compound Name: N-[(1R)-2-amino-2-oxo-1-phenylethyl]-2-hydroxy-N-[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]benzamide
• PubChem CID: 118935290
• Molecular Formula: C25H21F3N2O3
• Molecular Weight: 454.45 g/mol
• Exact Mass: 454.15
• IUPAC Name: N-[(1R)-2-amino-2-oxo-1-phenylethyl]-2-hydroxy-N-[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]benzamide
• SMILES: NC(=O)[C@@H](c1ccccc1)N(C(=O)c1ccccc1O)[C@@H]1CCc2ccc(C(F)(F)F)cc21
• InChI: InChI=1S/C25H21F3N2O3/c26-25(27,28)17-12-10-15-11-13-20(19(15)14-17)30(24(33)18-8-4-5-9-21(18)31)22(23(29)32)16-6-2-1-3-7-16/h1-10,12,14,20,22,31H,11,13H2,(H2,29,32)/t20-,22-/m1/s1
• InChIKey: SPTKGSUGQZWIHY-IFMALSPDSA-N
• XLogP: 4.77
• TPSA: 83.63 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	454.45
LogP ≤ 5	4.77
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-amino-2-oxo-1-phenylethyl]-2-hydroxy-N-[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]benzamide?

The IUPAC name of N-[(1R)-2-amino-2-oxo-1-phenylethyl]-2-hydroxy-N-[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]benzamide (CID 118935290) is N-[(1R)-2-amino-2-oxo-1-phenylethyl]-2-hydroxy-N-[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]benzamide.

What is the SMILES notation for N-[(1R)-2-amino-2-oxo-1-phenylethyl]-2-hydroxy-N-[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]benzamide?

The canonical SMILES for N-[(1R)-2-amino-2-oxo-1-phenylethyl]-2-hydroxy-N-[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]benzamide is NC(=O)[C@@H](c1ccccc1)N(C(=O)c1ccccc1O)[C@@H]1CCc2ccc(C(F)(F)F)cc21.

What is the InChIKey of N-[(1R)-2-amino-2-oxo-1-phenylethyl]-2-hydroxy-N-[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]benzamide?

The InChIKey is SPTKGSUGQZWIHY-IFMALSPDSA-N. The full InChI is InChI=1S/C25H21F3N2O3/c26-25(27,28)17-12-10-15-11-13-20(19(15)14-17)30(24(33)18-8-4-5-9-21(18)31)22(23(29)32)16-6-2-1-3-7-16/h1-10,12,14,20,22,31H,11,13H2,(H2,29,32)/t20-,22-/m1/s1.

What are the key properties of N-[(1R)-2-amino-2-oxo-1-phenylethyl]-2-hydroxy-N-[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]benzamide?

N-[(1R)-2-amino-2-oxo-1-phenylethyl]-2-hydroxy-N-[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]benzamide has a molecular weight of 454.45 g/mol, XLogP of 4.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R)-2-amino-2-oxo-1-phenylethyl]-2-hydroxy-N-[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]benzamide is sourced from PubChem (CID 118935290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).