N-[2-chloro-5-(trifluoromethyl)phenyl]-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carboxamide

C21H19ClF3N3O2 — CID 69323012

About N-[2-chloro-5-(trifluoromethyl)phenyl]-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carboxamide

N-[2-chloro-5-(trifluoromethyl)phenyl]-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carboxamide (PubChem CID 69323012) has the molecular formula C21H19ClF3N3O2 and a molecular weight of 437.85 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)phenyl]-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carboxamide.

Molecular Properties

• Compound Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carboxamide
• PubChem CID: 69323012
• Molecular Formula: C21H19ClF3N3O2
• Molecular Weight: 437.85 g/mol
• Exact Mass: 437.11
• IUPAC Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carboxamide
• SMILES: O=C(Nc1cc(C(F)(F)F)ccc1Cl)N1CCC2(CC1)CC(c1ccccc1)=NO2
• InChI: InChI=1S/C21H19ClF3N3O2/c22-16-7-6-15(21(23,24)25)12-17(16)26-19(29)28-10-8-20(9-11-28)13-18(27-30-20)14-4-2-1-3-5-14/h1-7,12H,8-11,13H2,(H,26,29)
• InChIKey: JKWIPRWVQPELKK-UHFFFAOYSA-N
• XLogP: 5.55
• TPSA: 53.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	437.85
LogP ≤ 5	5.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carboxamide?

The IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carboxamide (CID 69323012) is N-[2-chloro-5-(trifluoromethyl)phenyl]-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carboxamide.

What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)phenyl]-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carboxamide?

The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)phenyl]-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carboxamide is O=C(Nc1cc(C(F)(F)F)ccc1Cl)N1CCC2(CC1)CC(c1ccccc1)=NO2.

What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)phenyl]-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carboxamide?

The InChIKey is JKWIPRWVQPELKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClF3N3O2/c22-16-7-6-15(21(23,24)25)12-17(16)26-19(29)28-10-8-20(9-11-28)13-18(27-30-20)14-4-2-1-3-5-14/h1-7,12H,8-11,13H2,(H,26,29).

What are the key properties of N-[2-chloro-5-(trifluoromethyl)phenyl]-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carboxamide?

N-[2-chloro-5-(trifluoromethyl)phenyl]-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carboxamide has a molecular weight of 437.85 g/mol, XLogP of 5.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-chloro-5-(trifluoromethyl)phenyl]-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carboxamide is sourced from PubChem (CID 69323012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).