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

C22H15ClN2O3 — CID 4887717

IUPAC3-(2-chlorophenyl)-7-naphthalen-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione
SMILESO=C1CC2(CC(c3ccccc3Cl)=NO2)C(=O)N1c1ccc2ccccc2c1
InChIInChI=1S/C22H15ClN2O3/c23-18-8-4-3-7-17(18)19-12-22(28-24-19)13-20(26)25(21(22)27)16-10-9-14-5-1-2-6-15(14)11-16/h1-11H,12-13H2
InChIKeyZPDLEXWJIRCGRR-UHFFFAOYSA-N
MW390.83 g/mol
LogP4.32
Rot. Bonds2

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

3-(2-chlorophenyl)-7-naphthalen-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione (PubChem CID 4887717) has the molecular formula C22H15ClN2O3 and a molecular weight of 390.83 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-7-naphthalen-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione.

Molecular Properties

Compound Name3-(2-chlorophenyl)-7-naphthalen-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione
PubChem CID4887717
Molecular FormulaC22H15ClN2O3
Molecular Weight390.83 g/mol
Exact Mass390.08
IUPAC Name3-(2-chlorophenyl)-7-naphthalen-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione
SMILESO=C1CC2(CC(c3ccccc3Cl)=NO2)C(=O)N1c1ccc2ccccc2c1
InChIInChI=1S/C22H15ClN2O3/c23-18-8-4-3-7-17(18)19-12-22(28-24-19)13-20(26)25(21(22)27)16-10-9-14-5-1-2-6-15(14)11-16/h1-11H,12-13H2
InChIKeyZPDLEXWJIRCGRR-UHFFFAOYSA-N
XLogP4.32
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.83
LogP ≤ 54.32
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 3-(2-chlorophenyl)-7-naphthalen-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione?
The IUPAC name of 3-(2-chlorophenyl)-7-naphthalen-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione (CID 4887717) is 3-(2-chlorophenyl)-7-naphthalen-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione.
What is the SMILES notation for 3-(2-chlorophenyl)-7-naphthalen-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione?
The canonical SMILES for 3-(2-chlorophenyl)-7-naphthalen-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione is O=C1CC2(CC(c3ccccc3Cl)=NO2)C(=O)N1c1ccc2ccccc2c1.
What is the InChIKey of 3-(2-chlorophenyl)-7-naphthalen-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione?
The InChIKey is ZPDLEXWJIRCGRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClN2O3/c23-18-8-4-3-7-17(18)19-12-22(28-24-19)13-20(26)25(21(22)27)16-10-9-14-5-1-2-6-15(14)11-16/h1-11H,12-13H2.
What are the key properties of 3-(2-chlorophenyl)-7-naphthalen-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione?
3-(2-chlorophenyl)-7-naphthalen-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione has a molecular weight of 390.83 g/mol, XLogP of 4.32, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-7-naphthalen-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione is sourced from PubChem (CID 4887717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).