N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2-propan-2-yloxy-5-[2-(trifluoromethyl)phenyl]benzamide

C28H27F3N2O3 — CID 71065386

About N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2-propan-2-yloxy-5-[2-(trifluoromethyl)phenyl]benzamide

N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2-propan-2-yloxy-5-[2-(trifluoromethyl)phenyl]benzamide (PubChem CID 71065386) has the molecular formula C28H27F3N2O3 and a molecular weight of 496.53 g/mol. Its IUPAC name is N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2-propan-2-yloxy-5-[2-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

• Compound Name: N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2-propan-2-yloxy-5-[2-(trifluoromethyl)phenyl]benzamide
• PubChem CID: 71065386
• Molecular Formula: C28H27F3N2O3
• Molecular Weight: 496.53 g/mol
• Exact Mass: 496.20
• IUPAC Name: N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2-propan-2-yloxy-5-[2-(trifluoromethyl)phenyl]benzamide
• SMILES: CC(C)Oc1ccc(-c2ccccc2C(F)(F)F)cc1C(=O)N[C@@H](CO)Cc1c[nH]c2ccccc12
• InChI: InChI=1S/C28H27F3N2O3/c1-17(2)36-26-12-11-18(21-7-3-5-9-24(21)28(29,30)31)14-23(26)27(35)33-20(16-34)13-19-15-32-25-10-6-4-8-22(19)25/h3-12,14-15,17,20,32,34H,13,16H2,1-2H3,(H,33,35)/t20-/m1/s1
• InChIKey: HOVPKDRUPPWIQT-HXUWFJFHSA-N
• XLogP: 5.97
• TPSA: 74.35 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	496.53
LogP ≤ 5	5.97
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2-propan-2-yloxy-5-[2-(trifluoromethyl)phenyl]benzamide?

The IUPAC name of N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2-propan-2-yloxy-5-[2-(trifluoromethyl)phenyl]benzamide (CID 71065386) is N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2-propan-2-yloxy-5-[2-(trifluoromethyl)phenyl]benzamide.

What is the SMILES notation for N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2-propan-2-yloxy-5-[2-(trifluoromethyl)phenyl]benzamide?

The canonical SMILES for N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2-propan-2-yloxy-5-[2-(trifluoromethyl)phenyl]benzamide is CC(C)Oc1ccc(-c2ccccc2C(F)(F)F)cc1C(=O)N[C@@H](CO)Cc1c[nH]c2ccccc12.

What is the InChIKey of N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2-propan-2-yloxy-5-[2-(trifluoromethyl)phenyl]benzamide?

The InChIKey is HOVPKDRUPPWIQT-HXUWFJFHSA-N. The full InChI is InChI=1S/C28H27F3N2O3/c1-17(2)36-26-12-11-18(21-7-3-5-9-24(21)28(29,30)31)14-23(26)27(35)33-20(16-34)13-19-15-32-25-10-6-4-8-22(19)25/h3-12,14-15,17,20,32,34H,13,16H2,1-2H3,(H,33,35)/t20-/m1/s1.

What are the key properties of N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2-propan-2-yloxy-5-[2-(trifluoromethyl)phenyl]benzamide?

N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2-propan-2-yloxy-5-[2-(trifluoromethyl)phenyl]benzamide has a molecular weight of 496.53 g/mol, XLogP of 5.97, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2-propan-2-yloxy-5-[2-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 71065386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).