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

C18H12ClFN2O3 — CID 4871127

IUPAC7-(3-chlorophenyl)-3-(4-fluorophenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione
SMILESO=C1CC2(CC(c3ccc(F)cc3)=NO2)C(=O)N1c1cccc(Cl)c1
InChIInChI=1S/C18H12ClFN2O3/c19-12-2-1-3-14(8-12)22-16(23)10-18(17(22)24)9-15(21-25-18)11-4-6-13(20)7-5-11/h1-8H,9-10H2
InChIKeySZPSSTWAGQXKTO-UHFFFAOYSA-N
MW358.76 g/mol
LogP3.31
Rot. Bonds2

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

7-(3-chlorophenyl)-3-(4-fluorophenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione (PubChem CID 4871127) has the molecular formula C18H12ClFN2O3 and a molecular weight of 358.76 g/mol. Its IUPAC name is 7-(3-chlorophenyl)-3-(4-fluorophenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione.

Molecular Properties

Compound Name7-(3-chlorophenyl)-3-(4-fluorophenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione
PubChem CID4871127
Molecular FormulaC18H12ClFN2O3
Molecular Weight358.76 g/mol
Exact Mass358.05
IUPAC Name7-(3-chlorophenyl)-3-(4-fluorophenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione
SMILESO=C1CC2(CC(c3ccc(F)cc3)=NO2)C(=O)N1c1cccc(Cl)c1
InChIInChI=1S/C18H12ClFN2O3/c19-12-2-1-3-14(8-12)22-16(23)10-18(17(22)24)9-15(21-25-18)11-4-6-13(20)7-5-11/h1-8H,9-10H2
InChIKeySZPSSTWAGQXKTO-UHFFFAOYSA-N
XLogP3.31
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.76
LogP ≤ 53.31
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-(3-chlorophenyl)-3-(4-fluorophenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione?
The IUPAC name of 7-(3-chlorophenyl)-3-(4-fluorophenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione (CID 4871127) is 7-(3-chlorophenyl)-3-(4-fluorophenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione.
What is the SMILES notation for 7-(3-chlorophenyl)-3-(4-fluorophenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione?
The canonical SMILES for 7-(3-chlorophenyl)-3-(4-fluorophenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione is O=C1CC2(CC(c3ccc(F)cc3)=NO2)C(=O)N1c1cccc(Cl)c1.
What is the InChIKey of 7-(3-chlorophenyl)-3-(4-fluorophenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione?
The InChIKey is SZPSSTWAGQXKTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClFN2O3/c19-12-2-1-3-14(8-12)22-16(23)10-18(17(22)24)9-15(21-25-18)11-4-6-13(20)7-5-11/h1-8H,9-10H2.
What are the key properties of 7-(3-chlorophenyl)-3-(4-fluorophenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione?
7-(3-chlorophenyl)-3-(4-fluorophenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione has a molecular weight of 358.76 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-chlorophenyl)-3-(4-fluorophenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione is sourced from PubChem (CID 4871127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).