3-benzyl-7-[(4-fluorophenyl)methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene

C20H21FN2O — CID 134793247

IUPAC3-benzyl-7-[(4-fluorophenyl)methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene
SMILESFc1ccc(CN2CCC3(CC(Cc4ccccc4)=NO3)C2)cc1
InChIInChI=1S/C20H21FN2O/c21-18-8-6-17(7-9-18)14-23-11-10-20(15-23)13-19(22-24-20)12-16-4-2-1-3-5-16/h1-9H,10-15H2
InChIKeyHNRJAXDRHSLXJR-UHFFFAOYSA-N
MW324.40 g/mol
LogP3.79
Rot. Bonds4

About 3-benzyl-7-[(4-fluorophenyl)methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene

3-benzyl-7-[(4-fluorophenyl)methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene (PubChem CID 134793247) has the molecular formula C20H21FN2O and a molecular weight of 324.40 g/mol. Its IUPAC name is 3-benzyl-7-[(4-fluorophenyl)methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene.

Molecular Properties

Compound Name3-benzyl-7-[(4-fluorophenyl)methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene
PubChem CID134793247
Molecular FormulaC20H21FN2O
Molecular Weight324.40 g/mol
Exact Mass324.16
IUPAC Name3-benzyl-7-[(4-fluorophenyl)methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene
SMILESFc1ccc(CN2CCC3(CC(Cc4ccccc4)=NO3)C2)cc1
InChIInChI=1S/C20H21FN2O/c21-18-8-6-17(7-9-18)14-23-11-10-20(15-23)13-19(22-24-20)12-16-4-2-1-3-5-16/h1-9H,10-15H2
InChIKeyHNRJAXDRHSLXJR-UHFFFAOYSA-N
XLogP3.79
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-7-[(4-fluorophenyl)methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene?
The IUPAC name of 3-benzyl-7-[(4-fluorophenyl)methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene (CID 134793247) is 3-benzyl-7-[(4-fluorophenyl)methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene.
What is the SMILES notation for 3-benzyl-7-[(4-fluorophenyl)methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene?
The canonical SMILES for 3-benzyl-7-[(4-fluorophenyl)methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene is Fc1ccc(CN2CCC3(CC(Cc4ccccc4)=NO3)C2)cc1.
What is the InChIKey of 3-benzyl-7-[(4-fluorophenyl)methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene?
The InChIKey is HNRJAXDRHSLXJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O/c21-18-8-6-17(7-9-18)14-23-11-10-20(15-23)13-19(22-24-20)12-16-4-2-1-3-5-16/h1-9H,10-15H2.
What are the key properties of 3-benzyl-7-[(4-fluorophenyl)methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene?
3-benzyl-7-[(4-fluorophenyl)methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene has a molecular weight of 324.40 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-7-[(4-fluorophenyl)methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene is sourced from PubChem (CID 134793247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).