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

C18H13ClN2O3 — CID 4891823

IUPAC3-(4-chlorophenyl)-7-phenyl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione
SMILESO=C1CC2(CC(c3ccc(Cl)cc3)=NO2)C(=O)N1c1ccccc1
InChIInChI=1S/C18H13ClN2O3/c19-13-8-6-12(7-9-13)15-10-18(24-20-15)11-16(22)21(17(18)23)14-4-2-1-3-5-14/h1-9H,10-11H2
InChIKeyTWTBYSUGGBZSRR-UHFFFAOYSA-N
MW340.77 g/mol
LogP3.17
Rot. Bonds2

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

3-(4-chlorophenyl)-7-phenyl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione (PubChem CID 4891823) has the molecular formula C18H13ClN2O3 and a molecular weight of 340.77 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-7-phenyl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione.

Molecular Properties

Compound Name3-(4-chlorophenyl)-7-phenyl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione
PubChem CID4891823
Molecular FormulaC18H13ClN2O3
Molecular Weight340.77 g/mol
Exact Mass340.06
IUPAC Name3-(4-chlorophenyl)-7-phenyl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione
SMILESO=C1CC2(CC(c3ccc(Cl)cc3)=NO2)C(=O)N1c1ccccc1
InChIInChI=1S/C18H13ClN2O3/c19-13-8-6-12(7-9-13)15-10-18(24-20-15)11-16(22)21(17(18)23)14-4-2-1-3-5-14/h1-9H,10-11H2
InChIKeyTWTBYSUGGBZSRR-UHFFFAOYSA-N
XLogP3.17
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.77
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(4-Methylphenyl)-7-phenyl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione
CID 4859703
3,7-Bis(4-methylphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione
CID 4892798
(3aR,6aS)-3-(2-Chloro-phenyl)-5-(2,6-dimethyl-phenyl)-3a,6a-dihydro-pyrrolo[3,4-d]isoxazole-4,6-dione
CID 7614248
3-(4-methylphenyl)-5-phenyl-3aH-pyrrolo[3,4-d][1,2]oxazole-4,6(5H,6aH)-dione
CID 17603235
3-(2,4-Dichlorophenyl)-5-phenyl-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione
CID 3756933
3-(4-Chlorophenyl)-5-phenyl-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione
CID 15518963
3-(2-chlorophenyl)-5-phenyl-3aH-pyrrolo[3,4-d][1,2]oxazole-4,6(5H,6aH)-dione
CID 17596008
3,5-Diphenyl-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione
CID 13332383
7-(3-Chlorophenyl)-3-(4-fluorophenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione
CID 4871127
3-(2-Chlorophenyl)-7-(naphthalen-2-yl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione
CID 4887717
3-(2-Chlorophenyl)-7-(4-methylphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione
CID 4891813
7-(3-Chlorophenyl)-3-(4-chlorophenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione
CID 4910988

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-7-phenyl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione?
The IUPAC name of 3-(4-chlorophenyl)-7-phenyl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione (CID 4891823) is 3-(4-chlorophenyl)-7-phenyl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione.
What is the SMILES notation for 3-(4-chlorophenyl)-7-phenyl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione?
The canonical SMILES for 3-(4-chlorophenyl)-7-phenyl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione is O=C1CC2(CC(c3ccc(Cl)cc3)=NO2)C(=O)N1c1ccccc1.
What is the InChIKey of 3-(4-chlorophenyl)-7-phenyl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione?
The InChIKey is TWTBYSUGGBZSRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN2O3/c19-13-8-6-12(7-9-13)15-10-18(24-20-15)11-16(22)21(17(18)23)14-4-2-1-3-5-14/h1-9H,10-11H2.
What are the key properties of 3-(4-chlorophenyl)-7-phenyl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione?
3-(4-chlorophenyl)-7-phenyl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione has a molecular weight of 340.77 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-7-phenyl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione is sourced from PubChem (CID 4891823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).