2-(trifluoromethyl)-N-[6-[9-[4-(trifluoromethyl)phenyl]-3,9-diazaspiro[5.5]undecane-3-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide

C34H33F6N3O2 — CID 87114985

About 2-(trifluoromethyl)-N-[6-[9-[4-(trifluoromethyl)phenyl]-3,9-diazaspiro[5.5]undecane-3-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide

2-(trifluoromethyl)-N-[6-[9-[4-(trifluoromethyl)phenyl]-3,9-diazaspiro[5.5]undecane-3-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide (PubChem CID 87114985) has the molecular formula C34H33F6N3O2 and a molecular weight of 629.65 g/mol. Its IUPAC name is 2-(trifluoromethyl)-N-[6-[9-[4-(trifluoromethyl)phenyl]-3,9-diazaspiro[5.5]undecane-3-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide.

Molecular Properties

• Compound Name: 2-(trifluoromethyl)-N-[6-[9-[4-(trifluoromethyl)phenyl]-3,9-diazaspiro[5.5]undecane-3-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide
• PubChem CID: 87114985
• Molecular Formula: C34H33F6N3O2
• Molecular Weight: 629.65 g/mol
• Exact Mass: 629.25
• IUPAC Name: 2-(trifluoromethyl)-N-[6-[9-[4-(trifluoromethyl)phenyl]-3,9-diazaspiro[5.5]undecane-3-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide
• SMILES: O=C(NC1CCc2ccc(C(=O)N3CCC4(CC3)CCN(c3ccc(C(F)(F)F)cc3)CC4)cc21)c1ccccc1C(F)(F)F
• InChI: InChI=1S/C34H33F6N3O2/c35-33(36,37)24-8-10-25(11-9-24)42-17-13-32(14-18-42)15-19-43(20-16-32)31(45)23-6-5-22-7-12-29(27(22)21-23)41-30(44)26-3-1-2-4-28(26)34(38,39)40/h1-6,8-11,21,29H,7,12-20H2,(H,41,44)
• InChIKey: WAGJBQBHXXFGGJ-UHFFFAOYSA-N
• XLogP: 7.66
• TPSA: 52.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	629.65
LogP ≤ 5	7.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-N-[6-[9-[4-(trifluoromethyl)phenyl]-3,9-diazaspiro[5.5]undecane-3-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide?

The IUPAC name of 2-(trifluoromethyl)-N-[6-[9-[4-(trifluoromethyl)phenyl]-3,9-diazaspiro[5.5]undecane-3-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide (CID 87114985) is 2-(trifluoromethyl)-N-[6-[9-[4-(trifluoromethyl)phenyl]-3,9-diazaspiro[5.5]undecane-3-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide.

What is the SMILES notation for 2-(trifluoromethyl)-N-[6-[9-[4-(trifluoromethyl)phenyl]-3,9-diazaspiro[5.5]undecane-3-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide?

The canonical SMILES for 2-(trifluoromethyl)-N-[6-[9-[4-(trifluoromethyl)phenyl]-3,9-diazaspiro[5.5]undecane-3-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide is O=C(NC1CCc2ccc(C(=O)N3CCC4(CC3)CCN(c3ccc(C(F)(F)F)cc3)CC4)cc21)c1ccccc1C(F)(F)F.

What is the InChIKey of 2-(trifluoromethyl)-N-[6-[9-[4-(trifluoromethyl)phenyl]-3,9-diazaspiro[5.5]undecane-3-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide?

The InChIKey is WAGJBQBHXXFGGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H33F6N3O2/c35-33(36,37)24-8-10-25(11-9-24)42-17-13-32(14-18-42)15-19-43(20-16-32)31(45)23-6-5-22-7-12-29(27(22)21-23)41-30(44)26-3-1-2-4-28(26)34(38,39)40/h1-6,8-11,21,29H,7,12-20H2,(H,41,44).

What are the key properties of 2-(trifluoromethyl)-N-[6-[9-[4-(trifluoromethyl)phenyl]-3,9-diazaspiro[5.5]undecane-3-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide?

2-(trifluoromethyl)-N-[6-[9-[4-(trifluoromethyl)phenyl]-3,9-diazaspiro[5.5]undecane-3-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide has a molecular weight of 629.65 g/mol, XLogP of 7.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(trifluoromethyl)-N-[6-[9-[4-(trifluoromethyl)phenyl]-3,9-diazaspiro[5.5]undecane-3-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide is sourced from PubChem (CID 87114985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).