3-[(3-amino-5-fluorophenyl)methyl]imidazolidine-2,4-dione

C10H10FN3O2 — CID 112646261

IUPAC3-[(3-amino-5-fluorophenyl)methyl]imidazolidine-2,4-dione
SMILESNc1cc(F)cc(CN2C(=O)CNC2=O)c1
InChIInChI=1S/C10H10FN3O2/c11-7-1-6(2-8(12)3-7)5-14-9(15)4-13-10(14)16/h1-3H,4-5,12H2,(H,13,16)
InChIKeyJLOILIYXPFYMPU-UHFFFAOYSA-N
MW223.21 g/mol
LogP0.46
Rot. Bonds2

About 3-[(3-amino-5-fluorophenyl)methyl]imidazolidine-2,4-dione

3-[(3-amino-5-fluorophenyl)methyl]imidazolidine-2,4-dione (PubChem CID 112646261) has the molecular formula C10H10FN3O2 and a molecular weight of 223.21 g/mol. Its IUPAC name is 3-[(3-amino-5-fluorophenyl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(3-amino-5-fluorophenyl)methyl]imidazolidine-2,4-dione
PubChem CID112646261
Molecular FormulaC10H10FN3O2
Molecular Weight223.21 g/mol
Exact Mass223.08
IUPAC Name3-[(3-amino-5-fluorophenyl)methyl]imidazolidine-2,4-dione
SMILESNc1cc(F)cc(CN2C(=O)CNC2=O)c1
InChIInChI=1S/C10H10FN3O2/c11-7-1-6(2-8(12)3-7)5-14-9(15)4-13-10(14)16/h1-3H,4-5,12H2,(H,13,16)
InChIKeyJLOILIYXPFYMPU-UHFFFAOYSA-N
XLogP0.46
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.21
LogP ≤ 50.46
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 3-[(3-amino-5-fluorophenyl)methyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[(3-amino-5-fluorophenyl)methyl]imidazolidine-2,4-dione (CID 112646261) is 3-[(3-amino-5-fluorophenyl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[(3-amino-5-fluorophenyl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[(3-amino-5-fluorophenyl)methyl]imidazolidine-2,4-dione is Nc1cc(F)cc(CN2C(=O)CNC2=O)c1.
What is the InChIKey of 3-[(3-amino-5-fluorophenyl)methyl]imidazolidine-2,4-dione?
The InChIKey is JLOILIYXPFYMPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3O2/c11-7-1-6(2-8(12)3-7)5-14-9(15)4-13-10(14)16/h1-3H,4-5,12H2,(H,13,16).
What are the key properties of 3-[(3-amino-5-fluorophenyl)methyl]imidazolidine-2,4-dione?
3-[(3-amino-5-fluorophenyl)methyl]imidazolidine-2,4-dione has a molecular weight of 223.21 g/mol, XLogP of 0.46, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-amino-5-fluorophenyl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 112646261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).