7-(5-chloro-2-methoxyphenyl)-3-(4-chlorophenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione

C19H14Cl2N2O4 — CID 4899988

IUPAC7-(5-chloro-2-methoxyphenyl)-3-(4-chlorophenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione
SMILESCOc1ccc(Cl)cc1N1C(=O)CC2(CC(c3ccc(Cl)cc3)=NO2)C1=O
InChIInChI=1S/C19H14Cl2N2O4/c1-26-16-7-6-13(21)8-15(16)23-17(24)10-19(18(23)25)9-14(22-27-19)11-2-4-12(20)5-3-11/h2-8H,9-10H2,1H3
InChIKeyFJYHCHGWDCJCDQ-UHFFFAOYSA-N
MW405.24 g/mol
LogP3.83
Rot. Bonds3

About 7-(5-chloro-2-methoxyphenyl)-3-(4-chlorophenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione

7-(5-chloro-2-methoxyphenyl)-3-(4-chlorophenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione (PubChem CID 4899988) has the molecular formula C19H14Cl2N2O4 and a molecular weight of 405.24 g/mol. Its IUPAC name is 7-(5-chloro-2-methoxyphenyl)-3-(4-chlorophenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione.

Molecular Properties

Compound Name7-(5-chloro-2-methoxyphenyl)-3-(4-chlorophenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione
PubChem CID4899988
Molecular FormulaC19H14Cl2N2O4
Molecular Weight405.24 g/mol
Exact Mass404.03
IUPAC Name7-(5-chloro-2-methoxyphenyl)-3-(4-chlorophenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione
SMILESCOc1ccc(Cl)cc1N1C(=O)CC2(CC(c3ccc(Cl)cc3)=NO2)C1=O
InChIInChI=1S/C19H14Cl2N2O4/c1-26-16-7-6-13(21)8-15(16)23-17(24)10-19(18(23)25)9-14(22-27-19)11-2-4-12(20)5-3-11/h2-8H,9-10H2,1H3
InChIKeyFJYHCHGWDCJCDQ-UHFFFAOYSA-N
XLogP3.83
TPSA68.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.24
LogP ≤ 53.83
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-(5-chloro-2-methoxyphenyl)-3-(4-chlorophenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione?
The IUPAC name of 7-(5-chloro-2-methoxyphenyl)-3-(4-chlorophenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione (CID 4899988) is 7-(5-chloro-2-methoxyphenyl)-3-(4-chlorophenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione.
What is the SMILES notation for 7-(5-chloro-2-methoxyphenyl)-3-(4-chlorophenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione?
The canonical SMILES for 7-(5-chloro-2-methoxyphenyl)-3-(4-chlorophenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione is COc1ccc(Cl)cc1N1C(=O)CC2(CC(c3ccc(Cl)cc3)=NO2)C1=O.
What is the InChIKey of 7-(5-chloro-2-methoxyphenyl)-3-(4-chlorophenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione?
The InChIKey is FJYHCHGWDCJCDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2N2O4/c1-26-16-7-6-13(21)8-15(16)23-17(24)10-19(18(23)25)9-14(22-27-19)11-2-4-12(20)5-3-11/h2-8H,9-10H2,1H3.
What are the key properties of 7-(5-chloro-2-methoxyphenyl)-3-(4-chlorophenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione?
7-(5-chloro-2-methoxyphenyl)-3-(4-chlorophenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione has a molecular weight of 405.24 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-chloro-2-methoxyphenyl)-3-(4-chlorophenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione is sourced from PubChem (CID 4899988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).