3,4-dichloro-1-(4-fluorophenyl)pyrrole-2,5-dione;3-(3,5-dichlorophenyl)-5-(methoxymethyl)-5-methyl-1,3-oxazolidine-2,4-dione

C22H15Cl4FN2O6 — CID 70598243

IUPAC3,4-dichloro-1-(4-fluorophenyl)pyrrole-2,5-dione;3-(3,5-dichlorophenyl)-5-(methoxymethyl)-5-methyl-1,3-oxazolidine-2,4-dione
SMILESCOCC1(C)OC(=O)N(c2cc(Cl)cc(Cl)c2)C1=O.O=C1C(Cl)=C(Cl)C(=O)N1c1ccc(F)cc1
InChIInChI=1S/C12H11Cl2NO4.C10H4Cl2FNO2/c1-12(6-18-2)10(16)15(11(17)19-12)9-4-7(13)3-8(14)5-9;11-7-8(12)10(16)14(9(7)15)6-3-1-5(13)2-4-6/h3-5H,6H2,1-2H3;1-4H
InChIKeyACTSIIFQGDFBCA-UHFFFAOYSA-N
MW564.18 g/mol
LogP5.27
Rot. Bonds4

About 3,4-dichloro-1-(4-fluorophenyl)pyrrole-2,5-dione;3-(3,5-dichlorophenyl)-5-(methoxymethyl)-5-methyl-1,3-oxazolidine-2,4-dione

3,4-dichloro-1-(4-fluorophenyl)pyrrole-2,5-dione;3-(3,5-dichlorophenyl)-5-(methoxymethyl)-5-methyl-1,3-oxazolidine-2,4-dione (PubChem CID 70598243) has the molecular formula C22H15Cl4FN2O6 and a molecular weight of 564.18 g/mol. Its IUPAC name is 3,4-dichloro-1-(4-fluorophenyl)pyrrole-2,5-dione;3-(3,5-dichlorophenyl)-5-(methoxymethyl)-5-methyl-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name3,4-dichloro-1-(4-fluorophenyl)pyrrole-2,5-dione;3-(3,5-dichlorophenyl)-5-(methoxymethyl)-5-methyl-1,3-oxazolidine-2,4-dione
PubChem CID70598243
Molecular FormulaC22H15Cl4FN2O6
Molecular Weight564.18 g/mol
Exact Mass561.97
IUPAC Name3,4-dichloro-1-(4-fluorophenyl)pyrrole-2,5-dione;3-(3,5-dichlorophenyl)-5-(methoxymethyl)-5-methyl-1,3-oxazolidine-2,4-dione
SMILESCOCC1(C)OC(=O)N(c2cc(Cl)cc(Cl)c2)C1=O.O=C1C(Cl)=C(Cl)C(=O)N1c1ccc(F)cc1
InChIInChI=1S/C12H11Cl2NO4.C10H4Cl2FNO2/c1-12(6-18-2)10(16)15(11(17)19-12)9-4-7(13)3-8(14)5-9;11-7-8(12)10(16)14(9(7)15)6-3-1-5(13)2-4-6/h3-5H,6H2,1-2H3;1-4H
InChIKeyACTSIIFQGDFBCA-UHFFFAOYSA-N
XLogP5.27
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.18
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-1-(4-fluorophenyl)pyrrole-2,5-dione;3-(3,5-dichlorophenyl)-5-(methoxymethyl)-5-methyl-1,3-oxazolidine-2,4-dione?
The IUPAC name of 3,4-dichloro-1-(4-fluorophenyl)pyrrole-2,5-dione;3-(3,5-dichlorophenyl)-5-(methoxymethyl)-5-methyl-1,3-oxazolidine-2,4-dione (CID 70598243) is 3,4-dichloro-1-(4-fluorophenyl)pyrrole-2,5-dione;3-(3,5-dichlorophenyl)-5-(methoxymethyl)-5-methyl-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 3,4-dichloro-1-(4-fluorophenyl)pyrrole-2,5-dione;3-(3,5-dichlorophenyl)-5-(methoxymethyl)-5-methyl-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 3,4-dichloro-1-(4-fluorophenyl)pyrrole-2,5-dione;3-(3,5-dichlorophenyl)-5-(methoxymethyl)-5-methyl-1,3-oxazolidine-2,4-dione is COCC1(C)OC(=O)N(c2cc(Cl)cc(Cl)c2)C1=O.O=C1C(Cl)=C(Cl)C(=O)N1c1ccc(F)cc1.
What is the InChIKey of 3,4-dichloro-1-(4-fluorophenyl)pyrrole-2,5-dione;3-(3,5-dichlorophenyl)-5-(methoxymethyl)-5-methyl-1,3-oxazolidine-2,4-dione?
The InChIKey is ACTSIIFQGDFBCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2NO4.C10H4Cl2FNO2/c1-12(6-18-2)10(16)15(11(17)19-12)9-4-7(13)3-8(14)5-9;11-7-8(12)10(16)14(9(7)15)6-3-1-5(13)2-4-6/h3-5H,6H2,1-2H3;1-4H.
What are the key properties of 3,4-dichloro-1-(4-fluorophenyl)pyrrole-2,5-dione;3-(3,5-dichlorophenyl)-5-(methoxymethyl)-5-methyl-1,3-oxazolidine-2,4-dione?
3,4-dichloro-1-(4-fluorophenyl)pyrrole-2,5-dione;3-(3,5-dichlorophenyl)-5-(methoxymethyl)-5-methyl-1,3-oxazolidine-2,4-dione has a molecular weight of 564.18 g/mol, XLogP of 5.27, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-1-(4-fluorophenyl)pyrrole-2,5-dione;3-(3,5-dichlorophenyl)-5-(methoxymethyl)-5-methyl-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 70598243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).