3-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-1-methylimidazolidine-2,4-dione

C14H17FN2O4 — CID 18086850

IUPAC3-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-1-methylimidazolidine-2,4-dione
SMILESCN1CC(=O)N(CC(O)COCc2ccccc2F)C1=O
InChIInChI=1S/C14H17FN2O4/c1-16-7-13(19)17(14(16)20)6-11(18)9-21-8-10-4-2-3-5-12(10)15/h2-5,11,18H,6-9H2,1H3
InChIKeyABKSWXJWXFEUDS-UHFFFAOYSA-N
MW296.30 g/mol
LogP0.60
Rot. Bonds6

About 3-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-1-methylimidazolidine-2,4-dione

3-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-1-methylimidazolidine-2,4-dione (PubChem CID 18086850) has the molecular formula C14H17FN2O4 and a molecular weight of 296.30 g/mol. Its IUPAC name is 3-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-1-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-1-methylimidazolidine-2,4-dione
PubChem CID18086850
Molecular FormulaC14H17FN2O4
Molecular Weight296.30 g/mol
Exact Mass296.12
IUPAC Name3-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-1-methylimidazolidine-2,4-dione
SMILESCN1CC(=O)N(CC(O)COCc2ccccc2F)C1=O
InChIInChI=1S/C14H17FN2O4/c1-16-7-13(19)17(14(16)20)6-11(18)9-21-8-10-4-2-3-5-12(10)15/h2-5,11,18H,6-9H2,1H3
InChIKeyABKSWXJWXFEUDS-UHFFFAOYSA-N
XLogP0.60
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-1-methylimidazolidine-2,4-dione?
The IUPAC name of 3-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-1-methylimidazolidine-2,4-dione (CID 18086850) is 3-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-1-methylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-1-methylimidazolidine-2,4-dione?
The canonical SMILES for 3-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-1-methylimidazolidine-2,4-dione is CN1CC(=O)N(CC(O)COCc2ccccc2F)C1=O.
What is the InChIKey of 3-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-1-methylimidazolidine-2,4-dione?
The InChIKey is ABKSWXJWXFEUDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O4/c1-16-7-13(19)17(14(16)20)6-11(18)9-21-8-10-4-2-3-5-12(10)15/h2-5,11,18H,6-9H2,1H3.
What are the key properties of 3-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-1-methylimidazolidine-2,4-dione?
3-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-1-methylimidazolidine-2,4-dione has a molecular weight of 296.30 g/mol, XLogP of 0.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-1-methylimidazolidine-2,4-dione is sourced from PubChem (CID 18086850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).