[3-(4-chlorophenyl)-1-oxa-9-azaspiro[4.5]dec-2-en-9-yl]-(4-fluorophenyl)methanone

C21H19ClFNO2 — CID 156602739

IUPAC[3-(4-chlorophenyl)-1-oxa-9-azaspiro[4.5]dec-2-en-9-yl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)N1CCCC2(CC(c3ccc(Cl)cc3)=CO2)C1
InChIInChI=1S/C21H19ClFNO2/c22-18-6-2-15(3-7-18)17-12-21(26-13-17)10-1-11-24(14-21)20(25)16-4-8-19(23)9-5-16/h2-9,13H,1,10-12,14H2
InChIKeyBNIDEUGQXGAZOE-UHFFFAOYSA-N
MW371.84 g/mol
LogP4.92
Rot. Bonds2

About [3-(4-chlorophenyl)-1-oxa-9-azaspiro[4.5]dec-2-en-9-yl]-(4-fluorophenyl)methanone

[3-(4-chlorophenyl)-1-oxa-9-azaspiro[4.5]dec-2-en-9-yl]-(4-fluorophenyl)methanone (PubChem CID 156602739) has the molecular formula C21H19ClFNO2 and a molecular weight of 371.84 g/mol. Its IUPAC name is [3-(4-chlorophenyl)-1-oxa-9-azaspiro[4.5]dec-2-en-9-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[3-(4-chlorophenyl)-1-oxa-9-azaspiro[4.5]dec-2-en-9-yl]-(4-fluorophenyl)methanone
PubChem CID156602739
Molecular FormulaC21H19ClFNO2
Molecular Weight371.84 g/mol
Exact Mass371.11
IUPAC Name[3-(4-chlorophenyl)-1-oxa-9-azaspiro[4.5]dec-2-en-9-yl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)N1CCCC2(CC(c3ccc(Cl)cc3)=CO2)C1
InChIInChI=1S/C21H19ClFNO2/c22-18-6-2-15(3-7-18)17-12-21(26-13-17)10-1-11-24(14-21)20(25)16-4-8-19(23)9-5-16/h2-9,13H,1,10-12,14H2
InChIKeyBNIDEUGQXGAZOE-UHFFFAOYSA-N
XLogP4.92
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.84
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-(4-chlorophenyl)-1-oxa-9-azaspiro[4.5]dec-2-en-9-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [3-(4-chlorophenyl)-1-oxa-9-azaspiro[4.5]dec-2-en-9-yl]-(4-fluorophenyl)methanone (CID 156602739) is [3-(4-chlorophenyl)-1-oxa-9-azaspiro[4.5]dec-2-en-9-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [3-(4-chlorophenyl)-1-oxa-9-azaspiro[4.5]dec-2-en-9-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [3-(4-chlorophenyl)-1-oxa-9-azaspiro[4.5]dec-2-en-9-yl]-(4-fluorophenyl)methanone is O=C(c1ccc(F)cc1)N1CCCC2(CC(c3ccc(Cl)cc3)=CO2)C1.
What is the InChIKey of [3-(4-chlorophenyl)-1-oxa-9-azaspiro[4.5]dec-2-en-9-yl]-(4-fluorophenyl)methanone?
The InChIKey is BNIDEUGQXGAZOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClFNO2/c22-18-6-2-15(3-7-18)17-12-21(26-13-17)10-1-11-24(14-21)20(25)16-4-8-19(23)9-5-16/h2-9,13H,1,10-12,14H2.
What are the key properties of [3-(4-chlorophenyl)-1-oxa-9-azaspiro[4.5]dec-2-en-9-yl]-(4-fluorophenyl)methanone?
[3-(4-chlorophenyl)-1-oxa-9-azaspiro[4.5]dec-2-en-9-yl]-(4-fluorophenyl)methanone has a molecular weight of 371.84 g/mol, XLogP of 4.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-chlorophenyl)-1-oxa-9-azaspiro[4.5]dec-2-en-9-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 156602739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).