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

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CID 1448807
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CID 2078434
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CID 2086380
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CID 3609423
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CID 4694377
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CID 7038758
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CID 9503158
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CID 5961114
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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).