3-(4-fluorophenyl)-1-(3-iodoprop-2-ynyl)-5-methylimidazolidine-2,4-dione

C13H10FIN2O2 — CID 19593303

IUPAC3-(4-fluorophenyl)-1-(3-iodoprop-2-ynyl)-5-methylimidazolidine-2,4-dione
SMILESCC1C(=O)N(c2ccc(F)cc2)C(=O)N1CC#CI
InChIInChI=1S/C13H10FIN2O2/c1-9-12(18)17(11-5-3-10(14)4-6-11)13(19)16(9)8-2-7-15/h3-6,9H,8H2,1H3
InChIKeyBRUAIOCVXBXOAP-UHFFFAOYSA-N
MW372.14 g/mol
LogP2.38
Rot. Bonds2

About 3-(4-fluorophenyl)-1-(3-iodoprop-2-ynyl)-5-methylimidazolidine-2,4-dione

3-(4-fluorophenyl)-1-(3-iodoprop-2-ynyl)-5-methylimidazolidine-2,4-dione (PubChem CID 19593303) has the molecular formula C13H10FIN2O2 and a molecular weight of 372.14 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1-(3-iodoprop-2-ynyl)-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1-(3-iodoprop-2-ynyl)-5-methylimidazolidine-2,4-dione
PubChem CID19593303
Molecular FormulaC13H10FIN2O2
Molecular Weight372.14 g/mol
Exact Mass371.98
IUPAC Name3-(4-fluorophenyl)-1-(3-iodoprop-2-ynyl)-5-methylimidazolidine-2,4-dione
SMILESCC1C(=O)N(c2ccc(F)cc2)C(=O)N1CC#CI
InChIInChI=1S/C13H10FIN2O2/c1-9-12(18)17(11-5-3-10(14)4-6-11)13(19)16(9)8-2-7-15/h3-6,9H,8H2,1H3
InChIKeyBRUAIOCVXBXOAP-UHFFFAOYSA-N
XLogP2.38
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.14
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-1-(3-iodoprop-2-ynyl)-5-methylimidazolidine-2,4-dione?
The IUPAC name of 3-(4-fluorophenyl)-1-(3-iodoprop-2-ynyl)-5-methylimidazolidine-2,4-dione (CID 19593303) is 3-(4-fluorophenyl)-1-(3-iodoprop-2-ynyl)-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 3-(4-fluorophenyl)-1-(3-iodoprop-2-ynyl)-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 3-(4-fluorophenyl)-1-(3-iodoprop-2-ynyl)-5-methylimidazolidine-2,4-dione is CC1C(=O)N(c2ccc(F)cc2)C(=O)N1CC#CI.
What is the InChIKey of 3-(4-fluorophenyl)-1-(3-iodoprop-2-ynyl)-5-methylimidazolidine-2,4-dione?
The InChIKey is BRUAIOCVXBXOAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FIN2O2/c1-9-12(18)17(11-5-3-10(14)4-6-11)13(19)16(9)8-2-7-15/h3-6,9H,8H2,1H3.
What are the key properties of 3-(4-fluorophenyl)-1-(3-iodoprop-2-ynyl)-5-methylimidazolidine-2,4-dione?
3-(4-fluorophenyl)-1-(3-iodoprop-2-ynyl)-5-methylimidazolidine-2,4-dione has a molecular weight of 372.14 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-1-(3-iodoprop-2-ynyl)-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 19593303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).