5-(4-acetamidophenyl)-N-[1-amino-3-(1H-indol-3-yl)propan-2-yl]-2-(trifluoromethoxy)benzamide

C27H25F3N4O3 — CID 71030667

About 5-(4-acetamidophenyl)-N-[1-amino-3-(1H-indol-3-yl)propan-2-yl]-2-(trifluoromethoxy)benzamide

5-(4-acetamidophenyl)-N-[1-amino-3-(1H-indol-3-yl)propan-2-yl]-2-(trifluoromethoxy)benzamide (PubChem CID 71030667) has the molecular formula C27H25F3N4O3 and a molecular weight of 510.52 g/mol. Its IUPAC name is 5-(4-acetamidophenyl)-N-[1-amino-3-(1H-indol-3-yl)propan-2-yl]-2-(trifluoromethoxy)benzamide.

Molecular Properties

• Compound Name: 5-(4-acetamidophenyl)-N-[1-amino-3-(1H-indol-3-yl)propan-2-yl]-2-(trifluoromethoxy)benzamide
• PubChem CID: 71030667
• Molecular Formula: C27H25F3N4O3
• Molecular Weight: 510.52 g/mol
• Exact Mass: 510.19
• IUPAC Name: 5-(4-acetamidophenyl)-N-[1-amino-3-(1H-indol-3-yl)propan-2-yl]-2-(trifluoromethoxy)benzamide
• SMILES: CC(=O)Nc1ccc(-c2ccc(OC(F)(F)F)c(C(=O)NC(CN)Cc3c[nH]c4ccccc34)c2)cc1
• InChI: InChI=1S/C27H25F3N4O3/c1-16(35)33-20-9-6-17(7-10-20)18-8-11-25(37-27(28,29)30)23(13-18)26(36)34-21(14-31)12-19-15-32-24-5-3-2-4-22(19)24/h2-11,13,15,21,32H,12,14,31H2,1H3,(H,33,35)(H,34,36)
• InChIKey: VZWYRUNMACHBRU-UHFFFAOYSA-N
• XLogP: 4.99
• TPSA: 109.24 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	510.52
LogP ≤ 5	4.99
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-(4-acetamidophenyl)-N-[1-amino-3-(1H-indol-3-yl)propan-2-yl]-2-(trifluoromethoxy)benzamide?

The IUPAC name of 5-(4-acetamidophenyl)-N-[1-amino-3-(1H-indol-3-yl)propan-2-yl]-2-(trifluoromethoxy)benzamide (CID 71030667) is 5-(4-acetamidophenyl)-N-[1-amino-3-(1H-indol-3-yl)propan-2-yl]-2-(trifluoromethoxy)benzamide.

What is the SMILES notation for 5-(4-acetamidophenyl)-N-[1-amino-3-(1H-indol-3-yl)propan-2-yl]-2-(trifluoromethoxy)benzamide?

The canonical SMILES for 5-(4-acetamidophenyl)-N-[1-amino-3-(1H-indol-3-yl)propan-2-yl]-2-(trifluoromethoxy)benzamide is CC(=O)Nc1ccc(-c2ccc(OC(F)(F)F)c(C(=O)NC(CN)Cc3c[nH]c4ccccc34)c2)cc1.

What is the InChIKey of 5-(4-acetamidophenyl)-N-[1-amino-3-(1H-indol-3-yl)propan-2-yl]-2-(trifluoromethoxy)benzamide?

The InChIKey is VZWYRUNMACHBRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25F3N4O3/c1-16(35)33-20-9-6-17(7-10-20)18-8-11-25(37-27(28,29)30)23(13-18)26(36)34-21(14-31)12-19-15-32-24-5-3-2-4-22(19)24/h2-11,13,15,21,32H,12,14,31H2,1H3,(H,33,35)(H,34,36).

What are the key properties of 5-(4-acetamidophenyl)-N-[1-amino-3-(1H-indol-3-yl)propan-2-yl]-2-(trifluoromethoxy)benzamide?

5-(4-acetamidophenyl)-N-[1-amino-3-(1H-indol-3-yl)propan-2-yl]-2-(trifluoromethoxy)benzamide has a molecular weight of 510.52 g/mol, XLogP of 4.99, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-acetamidophenyl)-N-[1-amino-3-(1H-indol-3-yl)propan-2-yl]-2-(trifluoromethoxy)benzamide is sourced from PubChem (CID 71030667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).