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

C20H17FN2O5 — CID 7662146

IUPAC(5R)-3-(2,4-dimethoxyphenyl)-7-(4-fluorophenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione
SMILESCOc1ccc(C2=NO[C@@]3(CC(=O)N(c4ccc(F)cc4)C3=O)C2)c(OC)c1
InChIInChI=1S/C20H17FN2O5/c1-26-14-7-8-15(17(9-14)27-2)16-10-20(28-22-16)11-18(24)23(19(20)25)13-5-3-12(21)4-6-13/h3-9H,10-11H2,1-2H3/t20-/m1/s1
InChIKeyARFZPUVDFSOGPP-HXUWFJFHSA-N
MW384.36 g/mol
LogP2.67
Rot. Bonds4

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

(5R)-3-(2,4-dimethoxyphenyl)-7-(4-fluorophenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione (PubChem CID 7662146) has the molecular formula C20H17FN2O5 and a molecular weight of 384.36 g/mol. Its IUPAC name is (5R)-3-(2,4-dimethoxyphenyl)-7-(4-fluorophenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione.

Molecular Properties

Compound Name(5R)-3-(2,4-dimethoxyphenyl)-7-(4-fluorophenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione
PubChem CID7662146
Molecular FormulaC20H17FN2O5
Molecular Weight384.36 g/mol
Exact Mass384.11
IUPAC Name(5R)-3-(2,4-dimethoxyphenyl)-7-(4-fluorophenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione
SMILESCOc1ccc(C2=NO[C@@]3(CC(=O)N(c4ccc(F)cc4)C3=O)C2)c(OC)c1
InChIInChI=1S/C20H17FN2O5/c1-26-14-7-8-15(17(9-14)27-2)16-10-20(28-22-16)11-18(24)23(19(20)25)13-5-3-12(21)4-6-13/h3-9H,10-11H2,1-2H3/t20-/m1/s1
InChIKeyARFZPUVDFSOGPP-HXUWFJFHSA-N
XLogP2.67
TPSA77.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.36
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(5S)-7-(4-chlorophenyl)-3-(2,3,4-trimethoxyphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione
CID 51972919
7-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione
CID 4870628
(5S)-3-(2,3-dimethoxyphenyl)-7-[3-(trifluoromethyl)phenyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione
CID 51973629
(5S)-7-(4-methoxyphenyl)-3-(3-nitrophenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione
CID 7631276
(5R)-3-(2,4-dimethoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid
CID 95658937
(5R)-3-(2-chlorophenyl)-7-naphthalen-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione
CID 7660202
3-(3,4-dimethoxyphenyl)-7-(2,3-dimethylphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione
CID 4903307
7-(3,5-dichlorophenyl)-3-(4-methylphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione
CID 14938698
(2-chlorophenyl)-[5-(2,4-dimethoxyphenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]methanone
CID 75457376
2-[4-[7-(3-chlorophenyl)-6,8-dioxo-1-oxa-2,7-diazaspiro[4.4]non-2-en-3-yl]-2-methoxyphenoxy]acetonitrile
CID 4912334
1-[5-(2,4-dimethoxyphenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-2-[methyl(propan-2-yl)amino]ethanone
CID 42844561
(3aS,6aS)-3-(2,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione
CID 98198426

Frequently Asked Questions

What is the IUPAC name of (5R)-3-(2,4-dimethoxyphenyl)-7-(4-fluorophenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione?
The IUPAC name of (5R)-3-(2,4-dimethoxyphenyl)-7-(4-fluorophenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione (CID 7662146) is (5R)-3-(2,4-dimethoxyphenyl)-7-(4-fluorophenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione.
What is the SMILES notation for (5R)-3-(2,4-dimethoxyphenyl)-7-(4-fluorophenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione?
The canonical SMILES for (5R)-3-(2,4-dimethoxyphenyl)-7-(4-fluorophenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione is COc1ccc(C2=NO[C@@]3(CC(=O)N(c4ccc(F)cc4)C3=O)C2)c(OC)c1.
What is the InChIKey of (5R)-3-(2,4-dimethoxyphenyl)-7-(4-fluorophenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione?
The InChIKey is ARFZPUVDFSOGPP-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H17FN2O5/c1-26-14-7-8-15(17(9-14)27-2)16-10-20(28-22-16)11-18(24)23(19(20)25)13-5-3-12(21)4-6-13/h3-9H,10-11H2,1-2H3/t20-/m1/s1.
What are the key properties of (5R)-3-(2,4-dimethoxyphenyl)-7-(4-fluorophenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione?
(5R)-3-(2,4-dimethoxyphenyl)-7-(4-fluorophenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione has a molecular weight of 384.36 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-(2,4-dimethoxyphenyl)-7-(4-fluorophenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione is sourced from PubChem (CID 7662146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).