1-[(4-fluorophenyl)methyl]-3-[(1S,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]imidazolidine-2,4-dione

C16H17FN2O3 — CID 86820062

IUPAC1-[(4-fluorophenyl)methyl]-3-[(1S,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]imidazolidine-2,4-dione
SMILESO=C1CN(Cc2ccc(F)cc2)C(=O)N1[C@@H]1C[C@H]2CC[C@@H]1O2
InChIInChI=1S/C16H17FN2O3/c17-11-3-1-10(2-4-11)8-18-9-15(20)19(16(18)21)13-7-12-5-6-14(13)22-12/h1-4,12-14H,5-9H2/t12-,13-,14+/m1/s1
InChIKeyJOFJRIHTYZZVBV-MCIONIFRSA-N
MW304.32 g/mol
LogP1.91
Rot. Bonds3

About 1-[(4-fluorophenyl)methyl]-3-[(1S,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]imidazolidine-2,4-dione

1-[(4-fluorophenyl)methyl]-3-[(1S,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]imidazolidine-2,4-dione (PubChem CID 86820062) has the molecular formula C16H17FN2O3 and a molecular weight of 304.32 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-3-[(1S,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-3-[(1S,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]imidazolidine-2,4-dione
PubChem CID86820062
Molecular FormulaC16H17FN2O3
Molecular Weight304.32 g/mol
Exact Mass304.12
IUPAC Name1-[(4-fluorophenyl)methyl]-3-[(1S,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]imidazolidine-2,4-dione
SMILESO=C1CN(Cc2ccc(F)cc2)C(=O)N1[C@@H]1C[C@H]2CC[C@@H]1O2
InChIInChI=1S/C16H17FN2O3/c17-11-3-1-10(2-4-11)8-18-9-15(20)19(16(18)21)13-7-12-5-6-14(13)22-12/h1-4,12-14H,5-9H2/t12-,13-,14+/m1/s1
InChIKeyJOFJRIHTYZZVBV-MCIONIFRSA-N
XLogP1.91
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-3-[(1S,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]imidazolidine-2,4-dione?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-3-[(1S,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]imidazolidine-2,4-dione (CID 86820062) is 1-[(4-fluorophenyl)methyl]-3-[(1S,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]imidazolidine-2,4-dione.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-3-[(1S,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]imidazolidine-2,4-dione?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-3-[(1S,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]imidazolidine-2,4-dione is O=C1CN(Cc2ccc(F)cc2)C(=O)N1[C@@H]1C[C@H]2CC[C@@H]1O2.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-3-[(1S,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]imidazolidine-2,4-dione?
The InChIKey is JOFJRIHTYZZVBV-MCIONIFRSA-N. The full InChI is InChI=1S/C16H17FN2O3/c17-11-3-1-10(2-4-11)8-18-9-15(20)19(16(18)21)13-7-12-5-6-14(13)22-12/h1-4,12-14H,5-9H2/t12-,13-,14+/m1/s1.
What are the key properties of 1-[(4-fluorophenyl)methyl]-3-[(1S,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]imidazolidine-2,4-dione?
1-[(4-fluorophenyl)methyl]-3-[(1S,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]imidazolidine-2,4-dione has a molecular weight of 304.32 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-3-[(1S,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 86820062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).