N-[3-(trifluoromethyl)phenyl]-3-[4-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide

C22H19F6N3O2 — CID 91029340

About N-[3-(trifluoromethyl)phenyl]-3-[4-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide

N-[3-(trifluoromethyl)phenyl]-3-[4-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide (PubChem CID 91029340) has the molecular formula C22H19F6N3O2 and a molecular weight of 471.40 g/mol. Its IUPAC name is N-[3-(trifluoromethyl)phenyl]-3-[4-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide.

Molecular Properties

• Compound Name: N-[3-(trifluoromethyl)phenyl]-3-[4-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide
• PubChem CID: 91029340
• Molecular Formula: C22H19F6N3O2
• Molecular Weight: 471.40 g/mol
• Exact Mass: 471.14
• IUPAC Name: N-[3-(trifluoromethyl)phenyl]-3-[4-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide
• SMILES: O=C(Nc1cccc(C(F)(F)F)c1)N1CCC2(C=C(c3ccc(C(F)(F)F)cc3)NO2)CC1
• InChI: InChI=1S/C22H19F6N3O2/c23-21(24,25)15-6-4-14(5-7-15)18-13-20(33-30-18)8-10-31(11-9-20)19(32)29-17-3-1-2-16(12-17)22(26,27)28/h1-7,12-13,30H,8-11H2,(H,29,32)
• InChIKey: JYLPENJUGGKAPW-UHFFFAOYSA-N
• XLogP: 5.67
• TPSA: 53.60 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	471.40
LogP ≤ 5	5.67
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[3-(trifluoromethyl)phenyl]-3-[4-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide?

The IUPAC name of N-[3-(trifluoromethyl)phenyl]-3-[4-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide (CID 91029340) is N-[3-(trifluoromethyl)phenyl]-3-[4-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide.

What is the SMILES notation for N-[3-(trifluoromethyl)phenyl]-3-[4-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide?

The canonical SMILES for N-[3-(trifluoromethyl)phenyl]-3-[4-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide is O=C(Nc1cccc(C(F)(F)F)c1)N1CCC2(C=C(c3ccc(C(F)(F)F)cc3)NO2)CC1.

What is the InChIKey of N-[3-(trifluoromethyl)phenyl]-3-[4-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide?

The InChIKey is JYLPENJUGGKAPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F6N3O2/c23-21(24,25)15-6-4-14(5-7-15)18-13-20(33-30-18)8-10-31(11-9-20)19(32)29-17-3-1-2-16(12-17)22(26,27)28/h1-7,12-13,30H,8-11H2,(H,29,32).

What are the key properties of N-[3-(trifluoromethyl)phenyl]-3-[4-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide?

N-[3-(trifluoromethyl)phenyl]-3-[4-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide has a molecular weight of 471.40 g/mol, XLogP of 5.67, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(trifluoromethyl)phenyl]-3-[4-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide is sourced from PubChem (CID 91029340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).