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

C19H15ClN2O3 — CID 4891813

IUPAC3-(2-chlorophenyl)-7-(4-methylphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione
SMILESCc1ccc(N2C(=O)CC3(CC(c4ccccc4Cl)=NO3)C2=O)cc1
InChIInChI=1S/C19H15ClN2O3/c1-12-6-8-13(9-7-12)22-17(23)11-19(18(22)24)10-16(21-25-19)14-4-2-3-5-15(14)20/h2-9H,10-11H2,1H3
InChIKeyBWPFIHQGDHXWIP-UHFFFAOYSA-N
MW354.79 g/mol
LogP3.48
Rot. Bonds2

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

3-(2-chlorophenyl)-7-(4-methylphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione (PubChem CID 4891813) has the molecular formula C19H15ClN2O3 and a molecular weight of 354.79 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-7-(4-methylphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione.

Molecular Properties

Compound Name3-(2-chlorophenyl)-7-(4-methylphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione
PubChem CID4891813
Molecular FormulaC19H15ClN2O3
Molecular Weight354.79 g/mol
Exact Mass354.08
IUPAC Name3-(2-chlorophenyl)-7-(4-methylphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione
SMILESCc1ccc(N2C(=O)CC3(CC(c4ccccc4Cl)=NO3)C2=O)cc1
InChIInChI=1S/C19H15ClN2O3/c1-12-6-8-13(9-7-12)22-17(23)11-19(18(22)24)10-16(21-25-19)14-4-2-3-5-15(14)20/h2-9H,10-11H2,1H3
InChIKeyBWPFIHQGDHXWIP-UHFFFAOYSA-N
XLogP3.48
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.79
LogP ≤ 53.48
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-(4-methylphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione?
The IUPAC name of 3-(2-chlorophenyl)-7-(4-methylphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione (CID 4891813) is 3-(2-chlorophenyl)-7-(4-methylphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione.
What is the SMILES notation for 3-(2-chlorophenyl)-7-(4-methylphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione?
The canonical SMILES for 3-(2-chlorophenyl)-7-(4-methylphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione is Cc1ccc(N2C(=O)CC3(CC(c4ccccc4Cl)=NO3)C2=O)cc1.
What is the InChIKey of 3-(2-chlorophenyl)-7-(4-methylphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione?
The InChIKey is BWPFIHQGDHXWIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2O3/c1-12-6-8-13(9-7-12)22-17(23)11-19(18(22)24)10-16(21-25-19)14-4-2-3-5-15(14)20/h2-9H,10-11H2,1H3.
What are the key properties of 3-(2-chlorophenyl)-7-(4-methylphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione?
3-(2-chlorophenyl)-7-(4-methylphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione has a molecular weight of 354.79 g/mol, XLogP of 3.48, 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-(4-methylphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione is sourced from PubChem (CID 4891813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).