3-(3-chloro-4-methylphenyl)-1-[dichloro(fluoro)methyl]sulfanylimidazolidine-2,4-dione

C11H8Cl3FN2O2S — CID 21489477

IUPAC3-(3-chloro-4-methylphenyl)-1-[dichloro(fluoro)methyl]sulfanylimidazolidine-2,4-dione
SMILESCc1ccc(N2C(=O)CN(SC(F)(Cl)Cl)C2=O)cc1Cl
InChIInChI=1S/C11H8Cl3FN2O2S/c1-6-2-3-7(4-8(6)12)17-9(18)5-16(10(17)19)20-11(13,14)15/h2-4H,5H2,1H3
InChIKeyDEEBZGIUSXXSBK-UHFFFAOYSA-N
MW357.62 g/mol
LogP4.12
Rot. Bonds3

About 3-(3-chloro-4-methylphenyl)-1-[dichloro(fluoro)methyl]sulfanylimidazolidine-2,4-dione

3-(3-chloro-4-methylphenyl)-1-[dichloro(fluoro)methyl]sulfanylimidazolidine-2,4-dione (PubChem CID 21489477) has the molecular formula C11H8Cl3FN2O2S and a molecular weight of 357.62 g/mol. Its IUPAC name is 3-(3-chloro-4-methylphenyl)-1-[dichloro(fluoro)methyl]sulfanylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(3-chloro-4-methylphenyl)-1-[dichloro(fluoro)methyl]sulfanylimidazolidine-2,4-dione
PubChem CID21489477
Molecular FormulaC11H8Cl3FN2O2S
Molecular Weight357.62 g/mol
Exact Mass355.94
IUPAC Name3-(3-chloro-4-methylphenyl)-1-[dichloro(fluoro)methyl]sulfanylimidazolidine-2,4-dione
SMILESCc1ccc(N2C(=O)CN(SC(F)(Cl)Cl)C2=O)cc1Cl
InChIInChI=1S/C11H8Cl3FN2O2S/c1-6-2-3-7(4-8(6)12)17-9(18)5-16(10(17)19)20-11(13,14)15/h2-4H,5H2,1H3
InChIKeyDEEBZGIUSXXSBK-UHFFFAOYSA-N
XLogP4.12
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.62
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-methylphenyl)-1-[dichloro(fluoro)methyl]sulfanylimidazolidine-2,4-dione?
The IUPAC name of 3-(3-chloro-4-methylphenyl)-1-[dichloro(fluoro)methyl]sulfanylimidazolidine-2,4-dione (CID 21489477) is 3-(3-chloro-4-methylphenyl)-1-[dichloro(fluoro)methyl]sulfanylimidazolidine-2,4-dione.
What is the SMILES notation for 3-(3-chloro-4-methylphenyl)-1-[dichloro(fluoro)methyl]sulfanylimidazolidine-2,4-dione?
The canonical SMILES for 3-(3-chloro-4-methylphenyl)-1-[dichloro(fluoro)methyl]sulfanylimidazolidine-2,4-dione is Cc1ccc(N2C(=O)CN(SC(F)(Cl)Cl)C2=O)cc1Cl.
What is the InChIKey of 3-(3-chloro-4-methylphenyl)-1-[dichloro(fluoro)methyl]sulfanylimidazolidine-2,4-dione?
The InChIKey is DEEBZGIUSXXSBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl3FN2O2S/c1-6-2-3-7(4-8(6)12)17-9(18)5-16(10(17)19)20-11(13,14)15/h2-4H,5H2,1H3.
What are the key properties of 3-(3-chloro-4-methylphenyl)-1-[dichloro(fluoro)methyl]sulfanylimidazolidine-2,4-dione?
3-(3-chloro-4-methylphenyl)-1-[dichloro(fluoro)methyl]sulfanylimidazolidine-2,4-dione has a molecular weight of 357.62 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-methylphenyl)-1-[dichloro(fluoro)methyl]sulfanylimidazolidine-2,4-dione is sourced from PubChem (CID 21489477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).