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

C18H12BrFN2O3 — CID 3887824

IUPAC7-(4-bromophenyl)-4-(4-fluorophenyl)-2-oxa-3,7-diazaspiro[4.4]non-3-ene-6,8-dione
SMILESO=C1CC2(CON=C2c2ccc(F)cc2)C(=O)N1c1ccc(Br)cc1
InChIInChI=1S/C18H12BrFN2O3/c19-12-3-7-14(8-4-12)22-15(23)9-18(17(22)24)10-25-21-16(18)11-1-5-13(20)6-2-11/h1-8H,9-10H2
InChIKeyJHDFFHWGYMHMSF-UHFFFAOYSA-N
MW403.21 g/mol
LogP3.27
Rot. Bonds2

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

7-(4-bromophenyl)-4-(4-fluorophenyl)-2-oxa-3,7-diazaspiro[4.4]non-3-ene-6,8-dione (PubChem CID 3887824) has the molecular formula C18H12BrFN2O3 and a molecular weight of 403.21 g/mol. Its IUPAC name is 7-(4-bromophenyl)-4-(4-fluorophenyl)-2-oxa-3,7-diazaspiro[4.4]non-3-ene-6,8-dione.

Molecular Properties

Compound Name7-(4-bromophenyl)-4-(4-fluorophenyl)-2-oxa-3,7-diazaspiro[4.4]non-3-ene-6,8-dione
PubChem CID3887824
Molecular FormulaC18H12BrFN2O3
Molecular Weight403.21 g/mol
Exact Mass402.00
IUPAC Name7-(4-bromophenyl)-4-(4-fluorophenyl)-2-oxa-3,7-diazaspiro[4.4]non-3-ene-6,8-dione
SMILESO=C1CC2(CON=C2c2ccc(F)cc2)C(=O)N1c1ccc(Br)cc1
InChIInChI=1S/C18H12BrFN2O3/c19-12-3-7-14(8-4-12)22-15(23)9-18(17(22)24)10-25-21-16(18)11-1-5-13(20)6-2-11/h1-8H,9-10H2
InChIKeyJHDFFHWGYMHMSF-UHFFFAOYSA-N
XLogP3.27
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.21
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-(4-bromophenyl)-4-(4-fluorophenyl)-2-oxa-3,7-diazaspiro[4.4]non-3-ene-6,8-dione?
The IUPAC name of 7-(4-bromophenyl)-4-(4-fluorophenyl)-2-oxa-3,7-diazaspiro[4.4]non-3-ene-6,8-dione (CID 3887824) is 7-(4-bromophenyl)-4-(4-fluorophenyl)-2-oxa-3,7-diazaspiro[4.4]non-3-ene-6,8-dione.
What is the SMILES notation for 7-(4-bromophenyl)-4-(4-fluorophenyl)-2-oxa-3,7-diazaspiro[4.4]non-3-ene-6,8-dione?
The canonical SMILES for 7-(4-bromophenyl)-4-(4-fluorophenyl)-2-oxa-3,7-diazaspiro[4.4]non-3-ene-6,8-dione is O=C1CC2(CON=C2c2ccc(F)cc2)C(=O)N1c1ccc(Br)cc1.
What is the InChIKey of 7-(4-bromophenyl)-4-(4-fluorophenyl)-2-oxa-3,7-diazaspiro[4.4]non-3-ene-6,8-dione?
The InChIKey is JHDFFHWGYMHMSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12BrFN2O3/c19-12-3-7-14(8-4-12)22-15(23)9-18(17(22)24)10-25-21-16(18)11-1-5-13(20)6-2-11/h1-8H,9-10H2.
What are the key properties of 7-(4-bromophenyl)-4-(4-fluorophenyl)-2-oxa-3,7-diazaspiro[4.4]non-3-ene-6,8-dione?
7-(4-bromophenyl)-4-(4-fluorophenyl)-2-oxa-3,7-diazaspiro[4.4]non-3-ene-6,8-dione has a molecular weight of 403.21 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-(4-bromophenyl)-4-(4-fluorophenyl)-2-oxa-3,7-diazaspiro[4.4]non-3-ene-6,8-dione is sourced from PubChem (CID 3887824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).