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

C18H11Cl3N2O3 — CID 7481646

IUPAC(5R)-7-(4-chlorophenyl)-3-(2,4-dichlorophenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione
SMILESO=C1C[C@]2(CC(c3ccc(Cl)cc3Cl)=NO2)C(=O)N1c1ccc(Cl)cc1
InChIInChI=1S/C18H11Cl3N2O3/c19-10-1-4-12(5-2-10)23-16(24)9-18(17(23)25)8-15(22-26-18)13-6-3-11(20)7-14(13)21/h1-7H,8-9H2/t18-/m1/s1
InChIKeyMOBSHZXOIWZUFR-GOSISDBHSA-N
MW409.66 g/mol
LogP4.47
Rot. Bonds2

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

(5R)-7-(4-chlorophenyl)-3-(2,4-dichlorophenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione (PubChem CID 7481646) has the molecular formula C18H11Cl3N2O3 and a molecular weight of 409.66 g/mol. Its IUPAC name is (5R)-7-(4-chlorophenyl)-3-(2,4-dichlorophenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione.

Molecular Properties

Compound Name(5R)-7-(4-chlorophenyl)-3-(2,4-dichlorophenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione
PubChem CID7481646
Molecular FormulaC18H11Cl3N2O3
Molecular Weight409.66 g/mol
Exact Mass407.98
IUPAC Name(5R)-7-(4-chlorophenyl)-3-(2,4-dichlorophenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione
SMILESO=C1C[C@]2(CC(c3ccc(Cl)cc3Cl)=NO2)C(=O)N1c1ccc(Cl)cc1
InChIInChI=1S/C18H11Cl3N2O3/c19-10-1-4-12(5-2-10)23-16(24)9-18(17(23)25)8-15(22-26-18)13-6-3-11(20)7-14(13)21/h1-7H,8-9H2/t18-/m1/s1
InChIKeyMOBSHZXOIWZUFR-GOSISDBHSA-N
XLogP4.47
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.66
LogP ≤ 54.47
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

(5R)-3-(2,4-dichlorophenyl)-7-phenyl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione
CID 7481590
(5S)-3-(2,4-dichlorophenyl)-7-phenyl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione
CID 7481591
(5S)-7-(4-chlorophenyl)-3-(2,3,4-trimethoxyphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione
CID 51972919
(5R)-3-(2-chlorophenyl)-7-naphthalen-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione
CID 7660202
3-(2-chlorophenyl)-7-naphthalen-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione
CID 4887717
7-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione
CID 4870628
(5S)-7-(4-chlorophenyl)-3-(4-nitrophenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione
CID 7480104
7-(3,5-dichlorophenyl)-3-(4-methylphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione
CID 14938698
7-(3-chlorophenyl)-3-methyl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione
CID 15176093
(5R)-3-(2,4-dimethoxyphenyl)-7-(4-fluorophenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione
CID 7662146
7-(5-chloro-2-methoxyphenyl)-3-(4-chlorophenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione
CID 4899988
(5R)-3-(4-chlorophenyl)-7-(2,6-dimethylphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione
CID 7597362

Frequently Asked Questions

What is the IUPAC name of (5R)-7-(4-chlorophenyl)-3-(2,4-dichlorophenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione?
The IUPAC name of (5R)-7-(4-chlorophenyl)-3-(2,4-dichlorophenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione (CID 7481646) is (5R)-7-(4-chlorophenyl)-3-(2,4-dichlorophenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione.
What is the SMILES notation for (5R)-7-(4-chlorophenyl)-3-(2,4-dichlorophenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione?
The canonical SMILES for (5R)-7-(4-chlorophenyl)-3-(2,4-dichlorophenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione is O=C1C[C@]2(CC(c3ccc(Cl)cc3Cl)=NO2)C(=O)N1c1ccc(Cl)cc1.
What is the InChIKey of (5R)-7-(4-chlorophenyl)-3-(2,4-dichlorophenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione?
The InChIKey is MOBSHZXOIWZUFR-GOSISDBHSA-N. The full InChI is InChI=1S/C18H11Cl3N2O3/c19-10-1-4-12(5-2-10)23-16(24)9-18(17(23)25)8-15(22-26-18)13-6-3-11(20)7-14(13)21/h1-7H,8-9H2/t18-/m1/s1.
What are the key properties of (5R)-7-(4-chlorophenyl)-3-(2,4-dichlorophenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione?
(5R)-7-(4-chlorophenyl)-3-(2,4-dichlorophenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione has a molecular weight of 409.66 g/mol, XLogP of 4.47, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-7-(4-chlorophenyl)-3-(2,4-dichlorophenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione is sourced from PubChem (CID 7481646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).