7-(2,6-dimethylphenyl)-3-(4-fluorophenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione

C20H17FN2O3 — CID 4911911

IUPAC7-(2,6-dimethylphenyl)-3-(4-fluorophenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione
SMILESCc1cccc(C)c1N1C(=O)CC2(CC(c3ccc(F)cc3)=NO2)C1=O
InChIInChI=1S/C20H17FN2O3/c1-12-4-3-5-13(2)18(12)23-17(24)11-20(19(23)25)10-16(22-26-20)14-6-8-15(21)9-7-14/h3-9H,10-11H2,1-2H3
InChIKeySOKWCDYZTVIGJY-UHFFFAOYSA-N
MW352.37 g/mol
LogP3.27
Rot. Bonds2

About 7-(2,6-dimethylphenyl)-3-(4-fluorophenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione

7-(2,6-dimethylphenyl)-3-(4-fluorophenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione (PubChem CID 4911911) has the molecular formula C20H17FN2O3 and a molecular weight of 352.37 g/mol. Its IUPAC name is 7-(2,6-dimethylphenyl)-3-(4-fluorophenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione.

Molecular Properties

Compound Name7-(2,6-dimethylphenyl)-3-(4-fluorophenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione
PubChem CID4911911
Molecular FormulaC20H17FN2O3
Molecular Weight352.37 g/mol
Exact Mass352.12
IUPAC Name7-(2,6-dimethylphenyl)-3-(4-fluorophenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione
SMILESCc1cccc(C)c1N1C(=O)CC2(CC(c3ccc(F)cc3)=NO2)C1=O
InChIInChI=1S/C20H17FN2O3/c1-12-4-3-5-13(2)18(12)23-17(24)11-20(19(23)25)10-16(22-26-20)14-6-8-15(21)9-7-14/h3-9H,10-11H2,1-2H3
InChIKeySOKWCDYZTVIGJY-UHFFFAOYSA-N
XLogP3.27
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(2,6-dimethylphenyl)-3-(4-fluorophenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione?
The IUPAC name of 7-(2,6-dimethylphenyl)-3-(4-fluorophenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione (CID 4911911) is 7-(2,6-dimethylphenyl)-3-(4-fluorophenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione.
What is the SMILES notation for 7-(2,6-dimethylphenyl)-3-(4-fluorophenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione?
The canonical SMILES for 7-(2,6-dimethylphenyl)-3-(4-fluorophenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione is Cc1cccc(C)c1N1C(=O)CC2(CC(c3ccc(F)cc3)=NO2)C1=O.
What is the InChIKey of 7-(2,6-dimethylphenyl)-3-(4-fluorophenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione?
The InChIKey is SOKWCDYZTVIGJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O3/c1-12-4-3-5-13(2)18(12)23-17(24)11-20(19(23)25)10-16(22-26-20)14-6-8-15(21)9-7-14/h3-9H,10-11H2,1-2H3.
What are the key properties of 7-(2,6-dimethylphenyl)-3-(4-fluorophenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione?
7-(2,6-dimethylphenyl)-3-(4-fluorophenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione has a molecular weight of 352.37 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,6-dimethylphenyl)-3-(4-fluorophenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione is sourced from PubChem (CID 4911911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).