(2E)-2-[2,2-dimethyl-7-(trifluoromethyl)-3H-chromen-4-ylidene]-N-(8-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)acetamide

C24H24F3NO3 — CID 44628583

About (2E)-2-[2,2-dimethyl-7-(trifluoromethyl)-3H-chromen-4-ylidene]-N-(8-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)acetamide

(2E)-2-[2,2-dimethyl-7-(trifluoromethyl)-3H-chromen-4-ylidene]-N-(8-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)acetamide (PubChem CID 44628583) has the molecular formula C24H24F3NO3 and a molecular weight of 431.45 g/mol. Its IUPAC name is (2E)-2-[2,2-dimethyl-7-(trifluoromethyl)-3H-chromen-4-ylidene]-N-(8-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)acetamide.

Molecular Properties

• Compound Name: (2E)-2-[2,2-dimethyl-7-(trifluoromethyl)-3H-chromen-4-ylidene]-N-(8-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
• PubChem CID: 44628583
• Molecular Formula: C24H24F3NO3
• Molecular Weight: 431.45 g/mol
• Exact Mass: 431.17
• IUPAC Name: (2E)-2-[2,2-dimethyl-7-(trifluoromethyl)-3H-chromen-4-ylidene]-N-(8-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
• SMILES: CC1(C)C/C(=C\C(=O)Nc2ccc3c(c2)C(O)CCC3)c2ccc(C(F)(F)F)cc2O1
• InChI: InChI=1S/C24H24F3NO3/c1-23(2)13-15(18-9-7-16(24(25,26)27)11-21(18)31-23)10-22(30)28-17-8-6-14-4-3-5-20(29)19(14)12-17/h6-12,20,29H,3-5,13H2,1-2H3,(H,28,30)/b15-10+
• InChIKey: DHOCYHCDPFNAMJ-XNTDXEJSSA-N
• XLogP: 5.66
• TPSA: 58.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	431.45
LogP ≤ 5	5.66
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[2,2-dimethyl-7-(trifluoromethyl)-3H-chromen-4-ylidene]-N-(8-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)acetamide?

The IUPAC name of (2E)-2-[2,2-dimethyl-7-(trifluoromethyl)-3H-chromen-4-ylidene]-N-(8-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)acetamide (CID 44628583) is (2E)-2-[2,2-dimethyl-7-(trifluoromethyl)-3H-chromen-4-ylidene]-N-(8-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)acetamide.

What is the SMILES notation for (2E)-2-[2,2-dimethyl-7-(trifluoromethyl)-3H-chromen-4-ylidene]-N-(8-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)acetamide?

The canonical SMILES for (2E)-2-[2,2-dimethyl-7-(trifluoromethyl)-3H-chromen-4-ylidene]-N-(8-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)acetamide is CC1(C)C/C(=C\C(=O)Nc2ccc3c(c2)C(O)CCC3)c2ccc(C(F)(F)F)cc2O1.

What is the InChIKey of (2E)-2-[2,2-dimethyl-7-(trifluoromethyl)-3H-chromen-4-ylidene]-N-(8-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)acetamide?

The InChIKey is DHOCYHCDPFNAMJ-XNTDXEJSSA-N. The full InChI is InChI=1S/C24H24F3NO3/c1-23(2)13-15(18-9-7-16(24(25,26)27)11-21(18)31-23)10-22(30)28-17-8-6-14-4-3-5-20(29)19(14)12-17/h6-12,20,29H,3-5,13H2,1-2H3,(H,28,30)/b15-10+.

What are the key properties of (2E)-2-[2,2-dimethyl-7-(trifluoromethyl)-3H-chromen-4-ylidene]-N-(8-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)acetamide?

(2E)-2-[2,2-dimethyl-7-(trifluoromethyl)-3H-chromen-4-ylidene]-N-(8-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)acetamide has a molecular weight of 431.45 g/mol, XLogP of 5.66, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (2E)-2-[2,2-dimethyl-7-(trifluoromethyl)-3H-chromen-4-ylidene]-N-(8-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)acetamide is sourced from PubChem (CID 44628583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).