1-[(2-chloro-3-fluorophenyl)methyl]-5,5-dimethylimidazolidine-2,4-dione

C12H12ClFN2O2 — CID 112654479

IUPAC1-[(2-chloro-3-fluorophenyl)methyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)C(=O)NC(=O)N1Cc1cccc(F)c1Cl
InChIInChI=1S/C12H12ClFN2O2/c1-12(2)10(17)15-11(18)16(12)6-7-4-3-5-8(14)9(7)13/h3-5H,6H2,1-2H3,(H,15,17,18)
InChIKeyUEJNFDFEGXBZIY-UHFFFAOYSA-N
MW270.69 g/mol
LogP2.31
Rot. Bonds2

About 1-[(2-chloro-3-fluorophenyl)methyl]-5,5-dimethylimidazolidine-2,4-dione

1-[(2-chloro-3-fluorophenyl)methyl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 112654479) has the molecular formula C12H12ClFN2O2 and a molecular weight of 270.69 g/mol. Its IUPAC name is 1-[(2-chloro-3-fluorophenyl)methyl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[(2-chloro-3-fluorophenyl)methyl]-5,5-dimethylimidazolidine-2,4-dione
PubChem CID112654479
Molecular FormulaC12H12ClFN2O2
Molecular Weight270.69 g/mol
Exact Mass270.06
IUPAC Name1-[(2-chloro-3-fluorophenyl)methyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)C(=O)NC(=O)N1Cc1cccc(F)c1Cl
InChIInChI=1S/C12H12ClFN2O2/c1-12(2)10(17)15-11(18)16(12)6-7-4-3-5-8(14)9(7)13/h3-5H,6H2,1-2H3,(H,15,17,18)
InChIKeyUEJNFDFEGXBZIY-UHFFFAOYSA-N
XLogP2.31
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.69
LogP ≤ 52.31
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-[(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)methyl]-2-fluorobenzonitrile
CID 107119968
1-[(3-chloro-2-fluorophenyl)methyl]-3-ethyl-6,6-dimethylpiperazine-2,5-dione
CID 102862934
6-[(2-chloro-3-fluorophenyl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione
CID 115984515
1-[(2,3-difluorophenyl)methyl]-6,6-dimethylpiperazine-2,5-dione
CID 64880676
1-[(2-fluorophenyl)methyl]-3,6,6-trimethylpiperazine-2,5-dione
CID 64875282
1-[(2-chloro-3-fluorophenyl)methyl]-3-methylimidazol-2-one
CID 116624629
5-chloro-1-[(2-chloro-3-fluorophenyl)methyl]pyrimidine-2,4-dione
CID 112549898
3-[(2-chloro-3-fluorophenyl)methyl]-1,3,9-triazaspiro[4.5]decane-2,4-dione
CID 115984165
2-chloro-1-[(2-chloro-3-fluorophenyl)methyl]-3-fluorobenzene
CID 173100406
1-amino-3-[(2-chloro-3-fluorophenyl)methyl]-1,3-diazinan-2-one
CID 113431480
1-[(2-chloro-3-fluorophenyl)methyl]-N,4-dimethylpiperidin-4-amine
CID 112652864
7-chloro-1-[(2-chloro-3-fluorophenyl)methyl]indole-2,3-dione
CID 115983068

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-3-fluorophenyl)methyl]-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 1-[(2-chloro-3-fluorophenyl)methyl]-5,5-dimethylimidazolidine-2,4-dione (CID 112654479) is 1-[(2-chloro-3-fluorophenyl)methyl]-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 1-[(2-chloro-3-fluorophenyl)methyl]-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 1-[(2-chloro-3-fluorophenyl)methyl]-5,5-dimethylimidazolidine-2,4-dione is CC1(C)C(=O)NC(=O)N1Cc1cccc(F)c1Cl.
What is the InChIKey of 1-[(2-chloro-3-fluorophenyl)methyl]-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is UEJNFDFEGXBZIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClFN2O2/c1-12(2)10(17)15-11(18)16(12)6-7-4-3-5-8(14)9(7)13/h3-5H,6H2,1-2H3,(H,15,17,18).
What are the key properties of 1-[(2-chloro-3-fluorophenyl)methyl]-5,5-dimethylimidazolidine-2,4-dione?
1-[(2-chloro-3-fluorophenyl)methyl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 270.69 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-3-fluorophenyl)methyl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 112654479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).