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

C19H15FN2O4 — CID 4890034

IUPAC7-(4-fluorophenyl)-3-(4-methoxyphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione
SMILESCOc1ccc(C2=NOC3(CC(=O)N(c4ccc(F)cc4)C3=O)C2)cc1
InChIInChI=1S/C19H15FN2O4/c1-25-15-8-2-12(3-9-15)16-10-19(26-21-16)11-17(23)22(18(19)24)14-6-4-13(20)5-7-14/h2-9H,10-11H2,1H3
InChIKeyLYINPCMWHFAJCX-UHFFFAOYSA-N
MW354.34 g/mol
LogP2.66
Rot. Bonds3

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

7-(4-fluorophenyl)-3-(4-methoxyphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione (PubChem CID 4890034) has the molecular formula C19H15FN2O4 and a molecular weight of 354.34 g/mol. Its IUPAC name is 7-(4-fluorophenyl)-3-(4-methoxyphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione.

Molecular Properties

Compound Name7-(4-fluorophenyl)-3-(4-methoxyphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione
PubChem CID4890034
Molecular FormulaC19H15FN2O4
Molecular Weight354.34 g/mol
Exact Mass354.10
IUPAC Name7-(4-fluorophenyl)-3-(4-methoxyphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione
SMILESCOc1ccc(C2=NOC3(CC(=O)N(c4ccc(F)cc4)C3=O)C2)cc1
InChIInChI=1S/C19H15FN2O4/c1-25-15-8-2-12(3-9-15)16-10-19(26-21-16)11-17(23)22(18(19)24)14-6-4-13(20)5-7-14/h2-9H,10-11H2,1H3
InChIKeyLYINPCMWHFAJCX-UHFFFAOYSA-N
XLogP2.66
TPSA68.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.34
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-(4-fluorophenyl)-3-(4-methoxyphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione?
The IUPAC name of 7-(4-fluorophenyl)-3-(4-methoxyphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione (CID 4890034) is 7-(4-fluorophenyl)-3-(4-methoxyphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione.
What is the SMILES notation for 7-(4-fluorophenyl)-3-(4-methoxyphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione?
The canonical SMILES for 7-(4-fluorophenyl)-3-(4-methoxyphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione is COc1ccc(C2=NOC3(CC(=O)N(c4ccc(F)cc4)C3=O)C2)cc1.
What is the InChIKey of 7-(4-fluorophenyl)-3-(4-methoxyphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione?
The InChIKey is LYINPCMWHFAJCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2O4/c1-25-15-8-2-12(3-9-15)16-10-19(26-21-16)11-17(23)22(18(19)24)14-6-4-13(20)5-7-14/h2-9H,10-11H2,1H3.
What are the key properties of 7-(4-fluorophenyl)-3-(4-methoxyphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione?
7-(4-fluorophenyl)-3-(4-methoxyphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione has a molecular weight of 354.34 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-fluorophenyl)-3-(4-methoxyphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione is sourced from PubChem (CID 4890034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).