3-(3,5-dichlorophenyl)-5-iodo-5-methyl-1,3-oxazolidine-2,4-dione

C10H6Cl2INO3 — CID 21323706

IUPAC3-(3,5-dichlorophenyl)-5-iodo-5-methyl-1,3-oxazolidine-2,4-dione
SMILESCC1(I)OC(=O)N(c2cc(Cl)cc(Cl)c2)C1=O
InChIInChI=1S/C10H6Cl2INO3/c1-10(13)8(15)14(9(16)17-10)7-3-5(11)2-6(12)4-7/h2-4H,1H3
InChIKeyXLYZREKTMGSMGT-UHFFFAOYSA-N
MW385.97 g/mol
LogP3.63
Rot. Bonds1

About 3-(3,5-dichlorophenyl)-5-iodo-5-methyl-1,3-oxazolidine-2,4-dione

3-(3,5-dichlorophenyl)-5-iodo-5-methyl-1,3-oxazolidine-2,4-dione (PubChem CID 21323706) has the molecular formula C10H6Cl2INO3 and a molecular weight of 385.97 g/mol. Its IUPAC name is 3-(3,5-dichlorophenyl)-5-iodo-5-methyl-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name3-(3,5-dichlorophenyl)-5-iodo-5-methyl-1,3-oxazolidine-2,4-dione
PubChem CID21323706
Molecular FormulaC10H6Cl2INO3
Molecular Weight385.97 g/mol
Exact Mass384.88
IUPAC Name3-(3,5-dichlorophenyl)-5-iodo-5-methyl-1,3-oxazolidine-2,4-dione
SMILESCC1(I)OC(=O)N(c2cc(Cl)cc(Cl)c2)C1=O
InChIInChI=1S/C10H6Cl2INO3/c1-10(13)8(15)14(9(16)17-10)7-3-5(11)2-6(12)4-7/h2-4H,1H3
InChIKeyXLYZREKTMGSMGT-UHFFFAOYSA-N
XLogP3.63
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.97
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dichlorophenyl)-5-iodo-5-methyl-1,3-oxazolidine-2,4-dione?
The IUPAC name of 3-(3,5-dichlorophenyl)-5-iodo-5-methyl-1,3-oxazolidine-2,4-dione (CID 21323706) is 3-(3,5-dichlorophenyl)-5-iodo-5-methyl-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 3-(3,5-dichlorophenyl)-5-iodo-5-methyl-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 3-(3,5-dichlorophenyl)-5-iodo-5-methyl-1,3-oxazolidine-2,4-dione is CC1(I)OC(=O)N(c2cc(Cl)cc(Cl)c2)C1=O.
What is the InChIKey of 3-(3,5-dichlorophenyl)-5-iodo-5-methyl-1,3-oxazolidine-2,4-dione?
The InChIKey is XLYZREKTMGSMGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2INO3/c1-10(13)8(15)14(9(16)17-10)7-3-5(11)2-6(12)4-7/h2-4H,1H3.
What are the key properties of 3-(3,5-dichlorophenyl)-5-iodo-5-methyl-1,3-oxazolidine-2,4-dione?
3-(3,5-dichlorophenyl)-5-iodo-5-methyl-1,3-oxazolidine-2,4-dione has a molecular weight of 385.97 g/mol, XLogP of 3.63, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dichlorophenyl)-5-iodo-5-methyl-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 21323706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).