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[3-(4-chlorophenyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl]-(2-fluorophenyl)methanone

C19H17ClFN3O2 — CID 91888974

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC[3-(4-chlorophenyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl]-(2-fluorophenyl)methanone
SMILESO=C(c1ccccc1F)N1CCC2(CC1)N=C(c1ccc(Cl)cc1)NO2
InChIInChI=1S/C19H17ClFN3O2/c20-14-7-5-13(6-8-14)17-22-19(26-23-17)9-11-24(12-10-19)18(25)15-3-1-2-4-16(15)21/h1-8H,9-12H2,(H,22,23)
InChIKeyIOVHFGCKXLQBFK-UHFFFAOYSA-N
MW373.81 g/mol
LogP3.39
Rot. Bonds2

About [3-(4-chlorophenyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl]-(2-fluorophenyl)methanone

[3-(4-chlorophenyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl]-(2-fluorophenyl)methanone (PubChem CID 91888974) has the molecular formula C19H17ClFN3O2 and a molecular weight of 373.81 g/mol. Its IUPAC name is [3-(4-chlorophenyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl]-(2-fluorophenyl)methanone.

Molecular Properties

Compound Name[3-(4-chlorophenyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl]-(2-fluorophenyl)methanone
PubChem CID91888974
Molecular FormulaC19H17ClFN3O2
Molecular Weight373.81 g/mol
Exact Mass373.10
IUPAC Name[3-(4-chlorophenyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl]-(2-fluorophenyl)methanone
SMILESO=C(c1ccccc1F)N1CCC2(CC1)N=C(c1ccc(Cl)cc1)NO2
InChIInChI=1S/C19H17ClFN3O2/c20-14-7-5-13(6-8-14)17-22-19(26-23-17)9-11-24(12-10-19)18(25)15-3-1-2-4-16(15)21/h1-8H,9-12H2,(H,22,23)
InChIKeyIOVHFGCKXLQBFK-UHFFFAOYSA-N
XLogP3.39
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.81
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(4-chlorophenyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl]-(2-fluorophenyl)methanone?
The IUPAC name of [3-(4-chlorophenyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl]-(2-fluorophenyl)methanone (CID 91888974) is [3-(4-chlorophenyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl]-(2-fluorophenyl)methanone.
What is the SMILES notation for [3-(4-chlorophenyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl]-(2-fluorophenyl)methanone?
The canonical SMILES for [3-(4-chlorophenyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl]-(2-fluorophenyl)methanone is O=C(c1ccccc1F)N1CCC2(CC1)N=C(c1ccc(Cl)cc1)NO2.
What is the InChIKey of [3-(4-chlorophenyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl]-(2-fluorophenyl)methanone?
The InChIKey is IOVHFGCKXLQBFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClFN3O2/c20-14-7-5-13(6-8-14)17-22-19(26-23-17)9-11-24(12-10-19)18(25)15-3-1-2-4-16(15)21/h1-8H,9-12H2,(H,22,23).
What are the key properties of [3-(4-chlorophenyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl]-(2-fluorophenyl)methanone?
[3-(4-chlorophenyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl]-(2-fluorophenyl)methanone has a molecular weight of 373.81 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-chlorophenyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl]-(2-fluorophenyl)methanone is sourced from PubChem (CID 91888974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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