1'-(2-fluorobenzoyl)spiro[2,4-dihydroisoquinoline-3,3'-azetidine]-1-one

C18H15FN2O2 — CID 134789704

IUPAC1'-(2-fluorobenzoyl)spiro[2,4-dihydroisoquinoline-3,3'-azetidine]-1-one
SMILESO=C1NC2(Cc3ccccc31)CN(C(=O)c1ccccc1F)C2
InChIInChI=1S/C18H15FN2O2/c19-15-8-4-3-7-14(15)17(23)21-10-18(11-21)9-12-5-1-2-6-13(12)16(22)20-18/h1-8H,9-11H2,(H,20,22)
InChIKeyJIXGWANOQBPOMC-UHFFFAOYSA-N
MW310.33 g/mol
LogP2.01
Rot. Bonds1

About 1'-(2-fluorobenzoyl)spiro[2,4-dihydroisoquinoline-3,3'-azetidine]-1-one

1'-(2-fluorobenzoyl)spiro[2,4-dihydroisoquinoline-3,3'-azetidine]-1-one (PubChem CID 134789704) has the molecular formula C18H15FN2O2 and a molecular weight of 310.33 g/mol. Its IUPAC name is 1'-(2-fluorobenzoyl)spiro[2,4-dihydroisoquinoline-3,3'-azetidine]-1-one.

Molecular Properties

Compound Name1'-(2-fluorobenzoyl)spiro[2,4-dihydroisoquinoline-3,3'-azetidine]-1-one
PubChem CID134789704
Molecular FormulaC18H15FN2O2
Molecular Weight310.33 g/mol
Exact Mass310.11
IUPAC Name1'-(2-fluorobenzoyl)spiro[2,4-dihydroisoquinoline-3,3'-azetidine]-1-one
SMILESO=C1NC2(Cc3ccccc31)CN(C(=O)c1ccccc1F)C2
InChIInChI=1S/C18H15FN2O2/c19-15-8-4-3-7-14(15)17(23)21-10-18(11-21)9-12-5-1-2-6-13(12)16(22)20-18/h1-8H,9-11H2,(H,20,22)
InChIKeyJIXGWANOQBPOMC-UHFFFAOYSA-N
XLogP2.01
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1'-(2-fluorobenzoyl)spiro[2,4-dihydroisoquinoline-3,3'-azetidine]-1-one?
The IUPAC name of 1'-(2-fluorobenzoyl)spiro[2,4-dihydroisoquinoline-3,3'-azetidine]-1-one (CID 134789704) is 1'-(2-fluorobenzoyl)spiro[2,4-dihydroisoquinoline-3,3'-azetidine]-1-one.
What is the SMILES notation for 1'-(2-fluorobenzoyl)spiro[2,4-dihydroisoquinoline-3,3'-azetidine]-1-one?
The canonical SMILES for 1'-(2-fluorobenzoyl)spiro[2,4-dihydroisoquinoline-3,3'-azetidine]-1-one is O=C1NC2(Cc3ccccc31)CN(C(=O)c1ccccc1F)C2.
What is the InChIKey of 1'-(2-fluorobenzoyl)spiro[2,4-dihydroisoquinoline-3,3'-azetidine]-1-one?
The InChIKey is JIXGWANOQBPOMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O2/c19-15-8-4-3-7-14(15)17(23)21-10-18(11-21)9-12-5-1-2-6-13(12)16(22)20-18/h1-8H,9-11H2,(H,20,22).
What are the key properties of 1'-(2-fluorobenzoyl)spiro[2,4-dihydroisoquinoline-3,3'-azetidine]-1-one?
1'-(2-fluorobenzoyl)spiro[2,4-dihydroisoquinoline-3,3'-azetidine]-1-one has a molecular weight of 310.33 g/mol, XLogP of 2.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(2-fluorobenzoyl)spiro[2,4-dihydroisoquinoline-3,3'-azetidine]-1-one is sourced from PubChem (CID 134789704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).