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

C20H17ClN2O3 — CID 7597362

IUPAC(5R)-3-(4-chlorophenyl)-7-(2,6-dimethylphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione
SMILESCc1cccc(C)c1N1C(=O)C[C@]2(CC(c3ccc(Cl)cc3)=NO2)C1=O
InChIInChI=1S/C20H17ClN2O3/c1-12-4-3-5-13(2)18(12)23-17(24)11-20(19(23)25)10-16(22-26-20)14-6-8-15(21)9-7-14/h3-9H,10-11H2,1-2H3/t20-/m1/s1
InChIKeyZVKUJEFHVSNYPW-HXUWFJFHSA-N
MW368.82 g/mol
LogP3.78
Rot. Bonds2

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

(5R)-3-(4-chlorophenyl)-7-(2,6-dimethylphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione (PubChem CID 7597362) has the molecular formula C20H17ClN2O3 and a molecular weight of 368.82 g/mol. Its IUPAC name is (5R)-3-(4-chlorophenyl)-7-(2,6-dimethylphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione.

Molecular Properties

Compound Name(5R)-3-(4-chlorophenyl)-7-(2,6-dimethylphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione
PubChem CID7597362
Molecular FormulaC20H17ClN2O3
Molecular Weight368.82 g/mol
Exact Mass368.09
IUPAC Name(5R)-3-(4-chlorophenyl)-7-(2,6-dimethylphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione
SMILESCc1cccc(C)c1N1C(=O)C[C@]2(CC(c3ccc(Cl)cc3)=NO2)C1=O
InChIInChI=1S/C20H17ClN2O3/c1-12-4-3-5-13(2)18(12)23-17(24)11-20(19(23)25)10-16(22-26-20)14-6-8-15(21)9-7-14/h3-9H,10-11H2,1-2H3/t20-/m1/s1
InChIKeyZVKUJEFHVSNYPW-HXUWFJFHSA-N
XLogP3.78
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.82
LogP ≤ 53.78
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-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-(2,6-dimethylphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione
CID 51971757
7-(3,5-dichlorophenyl)-3-(4-methylphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione
CID 14938698
7-(5-chloro-2-methoxyphenyl)-3-(4-chlorophenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione
CID 4899988
(5S)-7-(4-chlorophenyl)-3-(4-nitrophenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione
CID 7480104
7-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione
CID 4870628
7-(3-chlorophenyl)-3-methyl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione
CID 15176093
3-(3,4-dimethoxyphenyl)-7-(2,3-dimethylphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione
CID 4903307
(5R)-7-(4-chlorophenyl)-3-(2,4-dichlorophenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione
CID 7481646
(5S)-3-(2,4-dichlorophenyl)-7-phenyl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione
CID 7481591
(5R)-3-(4-nitrophenyl)-7-phenyl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione
CID 7480736
(5R)-3-(2,4-dichlorophenyl)-7-phenyl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione
CID 7481590
(5R)-7-(3,4-dimethylphenyl)-3-(3-nitrophenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione
CID 7633164

Frequently Asked Questions

What is the IUPAC name of (5R)-3-(4-chlorophenyl)-7-(2,6-dimethylphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione?
The IUPAC name of (5R)-3-(4-chlorophenyl)-7-(2,6-dimethylphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione (CID 7597362) is (5R)-3-(4-chlorophenyl)-7-(2,6-dimethylphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione.
What is the SMILES notation for (5R)-3-(4-chlorophenyl)-7-(2,6-dimethylphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione?
The canonical SMILES for (5R)-3-(4-chlorophenyl)-7-(2,6-dimethylphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione is Cc1cccc(C)c1N1C(=O)C[C@]2(CC(c3ccc(Cl)cc3)=NO2)C1=O.
What is the InChIKey of (5R)-3-(4-chlorophenyl)-7-(2,6-dimethylphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione?
The InChIKey is ZVKUJEFHVSNYPW-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H17ClN2O3/c1-12-4-3-5-13(2)18(12)23-17(24)11-20(19(23)25)10-16(22-26-20)14-6-8-15(21)9-7-14/h3-9H,10-11H2,1-2H3/t20-/m1/s1.
What are the key properties of (5R)-3-(4-chlorophenyl)-7-(2,6-dimethylphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione?
(5R)-3-(4-chlorophenyl)-7-(2,6-dimethylphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione has a molecular weight of 368.82 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-(4-chlorophenyl)-7-(2,6-dimethylphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione is sourced from PubChem (CID 7597362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).