2-chloro-N-[6-[8-(2-phenylethyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]-5-(trifluoromethyl)benzamide

C34H35ClF3N3O2 — CID 46935783

About 2-chloro-N-[6-[8-(2-phenylethyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]-5-(trifluoromethyl)benzamide

2-chloro-N-[6-[8-(2-phenylethyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]-5-(trifluoromethyl)benzamide (PubChem CID 46935783) has the molecular formula C34H35ClF3N3O2 and a molecular weight of 610.12 g/mol. Its IUPAC name is 2-chloro-N-[6-[8-(2-phenylethyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]-5-(trifluoromethyl)benzamide.

Molecular Properties

• Compound Name: 2-chloro-N-[6-[8-(2-phenylethyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]-5-(trifluoromethyl)benzamide
• PubChem CID: 46935783
• Molecular Formula: C34H35ClF3N3O2
• Molecular Weight: 610.12 g/mol
• Exact Mass: 609.24
• IUPAC Name: 2-chloro-N-[6-[8-(2-phenylethyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]-5-(trifluoromethyl)benzamide
• SMILES: O=C(NC1CCc2ccc(C(=O)N3CCC4(CCN(CCc5ccccc5)CC4)C3)cc21)c1cc(C(F)(F)F)ccc1Cl
• InChI: InChI=1S/C34H35ClF3N3O2/c35-29-10-9-26(34(36,37)38)21-28(29)31(42)39-30-11-8-24-6-7-25(20-27(24)30)32(43)41-19-15-33(22-41)13-17-40(18-14-33)16-12-23-4-2-1-3-5-23/h1-7,9-10,20-21,30H,8,11-19,22H2,(H,39,42)
• InChIKey: CUHAQIPCBHHRMF-UHFFFAOYSA-N
• XLogP: 6.95
• TPSA: 52.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	610.12
LogP ≤ 5	6.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[6-[8-(2-phenylethyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]-5-(trifluoromethyl)benzamide?

The IUPAC name of 2-chloro-N-[6-[8-(2-phenylethyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]-5-(trifluoromethyl)benzamide (CID 46935783) is 2-chloro-N-[6-[8-(2-phenylethyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]-5-(trifluoromethyl)benzamide.

What is the SMILES notation for 2-chloro-N-[6-[8-(2-phenylethyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]-5-(trifluoromethyl)benzamide?

The canonical SMILES for 2-chloro-N-[6-[8-(2-phenylethyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]-5-(trifluoromethyl)benzamide is O=C(NC1CCc2ccc(C(=O)N3CCC4(CCN(CCc5ccccc5)CC4)C3)cc21)c1cc(C(F)(F)F)ccc1Cl.

What is the InChIKey of 2-chloro-N-[6-[8-(2-phenylethyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]-5-(trifluoromethyl)benzamide?

The InChIKey is CUHAQIPCBHHRMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H35ClF3N3O2/c35-29-10-9-26(34(36,37)38)21-28(29)31(42)39-30-11-8-24-6-7-25(20-27(24)30)32(43)41-19-15-33(22-41)13-17-40(18-14-33)16-12-23-4-2-1-3-5-23/h1-7,9-10,20-21,30H,8,11-19,22H2,(H,39,42).

What are the key properties of 2-chloro-N-[6-[8-(2-phenylethyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]-5-(trifluoromethyl)benzamide?

2-chloro-N-[6-[8-(2-phenylethyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]-5-(trifluoromethyl)benzamide has a molecular weight of 610.12 g/mol, XLogP of 6.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-[6-[8-(2-phenylethyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 46935783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).