3-[(2-amino-4-fluorophenyl)methyl]-1-methylimidazolidine-2,4-dione

C11H12FN3O2 — CID 64768228

IUPAC3-[(2-amino-4-fluorophenyl)methyl]-1-methylimidazolidine-2,4-dione
SMILESCN1CC(=O)N(Cc2ccc(F)cc2N)C1=O
InChIInChI=1S/C11H12FN3O2/c1-14-6-10(16)15(11(14)17)5-7-2-3-8(12)4-9(7)13/h2-4H,5-6,13H2,1H3
InChIKeyXXNLYZJBMYYDMT-UHFFFAOYSA-N
MW237.23 g/mol
LogP0.80
Rot. Bonds2

About 3-[(2-amino-4-fluorophenyl)methyl]-1-methylimidazolidine-2,4-dione

3-[(2-amino-4-fluorophenyl)methyl]-1-methylimidazolidine-2,4-dione (PubChem CID 64768228) has the molecular formula C11H12FN3O2 and a molecular weight of 237.23 g/mol. Its IUPAC name is 3-[(2-amino-4-fluorophenyl)methyl]-1-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(2-amino-4-fluorophenyl)methyl]-1-methylimidazolidine-2,4-dione
PubChem CID64768228
Molecular FormulaC11H12FN3O2
Molecular Weight237.23 g/mol
Exact Mass237.09
IUPAC Name3-[(2-amino-4-fluorophenyl)methyl]-1-methylimidazolidine-2,4-dione
SMILESCN1CC(=O)N(Cc2ccc(F)cc2N)C1=O
InChIInChI=1S/C11H12FN3O2/c1-14-6-10(16)15(11(14)17)5-7-2-3-8(12)4-9(7)13/h2-4H,5-6,13H2,1H3
InChIKeyXXNLYZJBMYYDMT-UHFFFAOYSA-N
XLogP0.80
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.23
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(2-amino-4-fluorophenyl)methyl]-3-methylimidazolidine-2,4,5-trione
CID 64768035
3-[[2-(aminomethyl)phenyl]methyl]-1-methylimidazolidine-2,4-dione
CID 28824032
1-[(2-amino-4-fluorophenyl)methyl]pyrrolidin-2-one
CID 64770768
2-(1,3-dihydroisoindol-2-ylmethyl)-5-fluoroaniline
CID 64769584
3-[(2-aminoquinolin-3-yl)methyl]-1-methylimidazolidine-2,4-dione
CID 62209218
1-[(2-amino-4-fluorophenyl)methyl]azepan-2-one
CID 64769011
1-[(2-amino-4-fluorophenyl)methyl]-5-methylazepan-2-one
CID 64770583
5-fluoro-2-[(4-methyl-2,3-dihydroquinoxalin-1-yl)methyl]aniline
CID 64769987
1-[(2-amino-5-fluorophenyl)methyl]-4-methylpiperidine-2,6-dione
CID 79499662
2-[(2-amino-4-fluorophenyl)methyl]-6-methylpyridazin-3-one
CID 64768629
3-[[5-(2,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-1-methylimidazolidine-2,4-dione
CID 99824291
3-[(2-amino-4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-one
CID 64769209

Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-4-fluorophenyl)methyl]-1-methylimidazolidine-2,4-dione?
The IUPAC name of 3-[(2-amino-4-fluorophenyl)methyl]-1-methylimidazolidine-2,4-dione (CID 64768228) is 3-[(2-amino-4-fluorophenyl)methyl]-1-methylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[(2-amino-4-fluorophenyl)methyl]-1-methylimidazolidine-2,4-dione?
The canonical SMILES for 3-[(2-amino-4-fluorophenyl)methyl]-1-methylimidazolidine-2,4-dione is CN1CC(=O)N(Cc2ccc(F)cc2N)C1=O.
What is the InChIKey of 3-[(2-amino-4-fluorophenyl)methyl]-1-methylimidazolidine-2,4-dione?
The InChIKey is XXNLYZJBMYYDMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O2/c1-14-6-10(16)15(11(14)17)5-7-2-3-8(12)4-9(7)13/h2-4H,5-6,13H2,1H3.
What are the key properties of 3-[(2-amino-4-fluorophenyl)methyl]-1-methylimidazolidine-2,4-dione?
3-[(2-amino-4-fluorophenyl)methyl]-1-methylimidazolidine-2,4-dione has a molecular weight of 237.23 g/mol, XLogP of 0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-4-fluorophenyl)methyl]-1-methylimidazolidine-2,4-dione is sourced from PubChem (CID 64768228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).