3-(4-chloro-3-fluorophenyl)imidazolidine-2,4-dione

C9H6ClFN2O2 — CID 107089494

IUPAC3-(4-chloro-3-fluorophenyl)imidazolidine-2,4-dione
SMILESO=C1CNC(=O)N1c1ccc(Cl)c(F)c1
InChIInChI=1S/C9H6ClFN2O2/c10-6-2-1-5(3-7(6)11)13-8(14)4-12-9(13)15/h1-3H,4H2,(H,12,15)
InChIKeyZPCGIRFBWYLWGD-UHFFFAOYSA-N
MW228.61 g/mol
LogP1.54
Rot. Bonds1

About 3-(4-chloro-3-fluorophenyl)imidazolidine-2,4-dione

3-(4-chloro-3-fluorophenyl)imidazolidine-2,4-dione (PubChem CID 107089494) has the molecular formula C9H6ClFN2O2 and a molecular weight of 228.61 g/mol. Its IUPAC name is 3-(4-chloro-3-fluorophenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(4-chloro-3-fluorophenyl)imidazolidine-2,4-dione
PubChem CID107089494
Molecular FormulaC9H6ClFN2O2
Molecular Weight228.61 g/mol
Exact Mass228.01
IUPAC Name3-(4-chloro-3-fluorophenyl)imidazolidine-2,4-dione
SMILESO=C1CNC(=O)N1c1ccc(Cl)c(F)c1
InChIInChI=1S/C9H6ClFN2O2/c10-6-2-1-5(3-7(6)11)13-8(14)4-12-9(13)15/h1-3H,4H2,(H,12,15)
InChIKeyZPCGIRFBWYLWGD-UHFFFAOYSA-N
XLogP1.54
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.61
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(4-amino-3-chlorophenyl)imidazolidine-2,4-dione
CID 107841937
3-(3-chloro-5-fluorophenyl)imidazolidine-2,4-dione
CID 107089493
2-(4-chloro-3-fluorophenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 4622011
3-(2,6-dichloro-4-pyridinyl)imidazolidine-2,4-dione
CID 142231712
1-(4-chloro-3-fluorophenyl)-1,3-diazinan-2-one
CID 115371068
3-(2,5-difluorophenyl)imidazolidine-2,4-dione
CID 14650513
3-(3-methylsulfanylphenyl)imidazolidine-2,4-dione
CID 11435994
3-(1,2,3,4-tetrahydroquinolin-7-yl)imidazolidine-2,4-dione
CID 107842168
3-[4-(difluoromethoxy)phenyl]imidazolidine-2,4-dione
CID 103935816
2-(4-chloro-3-fluorophenyl)-5-(trifluoromethyl)-4H-pyrazol-3-one
CID 79149899
4-(4-chloro-3-fluorophenyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64964846
2-(4-chloro-3-fluorophenyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one
CID 79150250

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-3-fluorophenyl)imidazolidine-2,4-dione?
The IUPAC name of 3-(4-chloro-3-fluorophenyl)imidazolidine-2,4-dione (CID 107089494) is 3-(4-chloro-3-fluorophenyl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-(4-chloro-3-fluorophenyl)imidazolidine-2,4-dione?
The canonical SMILES for 3-(4-chloro-3-fluorophenyl)imidazolidine-2,4-dione is O=C1CNC(=O)N1c1ccc(Cl)c(F)c1.
What is the InChIKey of 3-(4-chloro-3-fluorophenyl)imidazolidine-2,4-dione?
The InChIKey is ZPCGIRFBWYLWGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClFN2O2/c10-6-2-1-5(3-7(6)11)13-8(14)4-12-9(13)15/h1-3H,4H2,(H,12,15).
What are the key properties of 3-(4-chloro-3-fluorophenyl)imidazolidine-2,4-dione?
3-(4-chloro-3-fluorophenyl)imidazolidine-2,4-dione has a molecular weight of 228.61 g/mol, XLogP of 1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-3-fluorophenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 107089494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).