3-(4-bromo-2-fluoro-5-propan-2-yloxyphenyl)-1-methyl-5-propan-2-ylideneimidazolidine-2,4-dione

C16H18BrFN2O3 — CID 14370842

IUPAC3-(4-bromo-2-fluoro-5-propan-2-yloxyphenyl)-1-methyl-5-propan-2-ylideneimidazolidine-2,4-dione
SMILESCC(C)=C1C(=O)N(c2cc(OC(C)C)c(Br)cc2F)C(=O)N1C
InChIInChI=1S/C16H18BrFN2O3/c1-8(2)14-15(21)20(16(22)19(14)5)12-7-13(23-9(3)4)10(17)6-11(12)18/h6-7,9H,1-5H3
InChIKeyKIFRYLORFBYXDO-UHFFFAOYSA-N
MW385.23 g/mol
LogP4.07
Rot. Bonds3

About 3-(4-bromo-2-fluoro-5-propan-2-yloxyphenyl)-1-methyl-5-propan-2-ylideneimidazolidine-2,4-dione

3-(4-bromo-2-fluoro-5-propan-2-yloxyphenyl)-1-methyl-5-propan-2-ylideneimidazolidine-2,4-dione (PubChem CID 14370842) has the molecular formula C16H18BrFN2O3 and a molecular weight of 385.23 g/mol. Its IUPAC name is 3-(4-bromo-2-fluoro-5-propan-2-yloxyphenyl)-1-methyl-5-propan-2-ylideneimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(4-bromo-2-fluoro-5-propan-2-yloxyphenyl)-1-methyl-5-propan-2-ylideneimidazolidine-2,4-dione
PubChem CID14370842
Molecular FormulaC16H18BrFN2O3
Molecular Weight385.23 g/mol
Exact Mass384.05
IUPAC Name3-(4-bromo-2-fluoro-5-propan-2-yloxyphenyl)-1-methyl-5-propan-2-ylideneimidazolidine-2,4-dione
SMILESCC(C)=C1C(=O)N(c2cc(OC(C)C)c(Br)cc2F)C(=O)N1C
InChIInChI=1S/C16H18BrFN2O3/c1-8(2)14-15(21)20(16(22)19(14)5)12-7-13(23-9(3)4)10(17)6-11(12)18/h6-7,9H,1-5H3
InChIKeyKIFRYLORFBYXDO-UHFFFAOYSA-N
XLogP4.07
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.23
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-(4-bromo-2-fluoro-5-propan-2-yloxyphenyl)-1-methyl-5-propan-2-ylideneimidazolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-2-fluoro-5-propan-2-yloxyphenyl)-1-methyl-5-propan-2-ylideneimidazolidine-2,4-dione?
The IUPAC name of 3-(4-bromo-2-fluoro-5-propan-2-yloxyphenyl)-1-methyl-5-propan-2-ylideneimidazolidine-2,4-dione (CID 14370842) is 3-(4-bromo-2-fluoro-5-propan-2-yloxyphenyl)-1-methyl-5-propan-2-ylideneimidazolidine-2,4-dione.
What is the SMILES notation for 3-(4-bromo-2-fluoro-5-propan-2-yloxyphenyl)-1-methyl-5-propan-2-ylideneimidazolidine-2,4-dione?
The canonical SMILES for 3-(4-bromo-2-fluoro-5-propan-2-yloxyphenyl)-1-methyl-5-propan-2-ylideneimidazolidine-2,4-dione is CC(C)=C1C(=O)N(c2cc(OC(C)C)c(Br)cc2F)C(=O)N1C.
What is the InChIKey of 3-(4-bromo-2-fluoro-5-propan-2-yloxyphenyl)-1-methyl-5-propan-2-ylideneimidazolidine-2,4-dione?
The InChIKey is KIFRYLORFBYXDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrFN2O3/c1-8(2)14-15(21)20(16(22)19(14)5)12-7-13(23-9(3)4)10(17)6-11(12)18/h6-7,9H,1-5H3.
What are the key properties of 3-(4-bromo-2-fluoro-5-propan-2-yloxyphenyl)-1-methyl-5-propan-2-ylideneimidazolidine-2,4-dione?
3-(4-bromo-2-fluoro-5-propan-2-yloxyphenyl)-1-methyl-5-propan-2-ylideneimidazolidine-2,4-dione has a molecular weight of 385.23 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-2-fluoro-5-propan-2-yloxyphenyl)-1-methyl-5-propan-2-ylideneimidazolidine-2,4-dione is sourced from PubChem (CID 14370842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).