3-(4-bromo-2-fluoro-5-hydroxyphenyl)-5-propan-2-ylideneimidazolidine-2,4-dione

C12H10BrFN2O3 — CID 14370827

IUPAC3-(4-bromo-2-fluoro-5-hydroxyphenyl)-5-propan-2-ylideneimidazolidine-2,4-dione
SMILESCC(C)=C1NC(=O)N(c2cc(O)c(Br)cc2F)C1=O
InChIInChI=1S/C12H10BrFN2O3/c1-5(2)10-11(18)16(12(19)15-10)8-4-9(17)6(13)3-7(8)14/h3-4,17H,1-2H3,(H,15,19)
InChIKeySDQHNQGPCIIAAE-UHFFFAOYSA-N
MW329.13 g/mol
LogP2.64
Rot. Bonds1

About 3-(4-bromo-2-fluoro-5-hydroxyphenyl)-5-propan-2-ylideneimidazolidine-2,4-dione

3-(4-bromo-2-fluoro-5-hydroxyphenyl)-5-propan-2-ylideneimidazolidine-2,4-dione (PubChem CID 14370827) has the molecular formula C12H10BrFN2O3 and a molecular weight of 329.13 g/mol. Its IUPAC name is 3-(4-bromo-2-fluoro-5-hydroxyphenyl)-5-propan-2-ylideneimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(4-bromo-2-fluoro-5-hydroxyphenyl)-5-propan-2-ylideneimidazolidine-2,4-dione
PubChem CID14370827
Molecular FormulaC12H10BrFN2O3
Molecular Weight329.13 g/mol
Exact Mass327.99
IUPAC Name3-(4-bromo-2-fluoro-5-hydroxyphenyl)-5-propan-2-ylideneimidazolidine-2,4-dione
SMILESCC(C)=C1NC(=O)N(c2cc(O)c(Br)cc2F)C1=O
InChIInChI=1S/C12H10BrFN2O3/c1-5(2)10-11(18)16(12(19)15-10)8-4-9(17)6(13)3-7(8)14/h3-4,17H,1-2H3,(H,15,19)
InChIKeySDQHNQGPCIIAAE-UHFFFAOYSA-N
XLogP2.64
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.13
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-2-fluoro-5-hydroxyphenyl)-5-propan-2-ylideneimidazolidine-2,4-dione?
The IUPAC name of 3-(4-bromo-2-fluoro-5-hydroxyphenyl)-5-propan-2-ylideneimidazolidine-2,4-dione (CID 14370827) is 3-(4-bromo-2-fluoro-5-hydroxyphenyl)-5-propan-2-ylideneimidazolidine-2,4-dione.
What is the SMILES notation for 3-(4-bromo-2-fluoro-5-hydroxyphenyl)-5-propan-2-ylideneimidazolidine-2,4-dione?
The canonical SMILES for 3-(4-bromo-2-fluoro-5-hydroxyphenyl)-5-propan-2-ylideneimidazolidine-2,4-dione is CC(C)=C1NC(=O)N(c2cc(O)c(Br)cc2F)C1=O.
What is the InChIKey of 3-(4-bromo-2-fluoro-5-hydroxyphenyl)-5-propan-2-ylideneimidazolidine-2,4-dione?
The InChIKey is SDQHNQGPCIIAAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrFN2O3/c1-5(2)10-11(18)16(12(19)15-10)8-4-9(17)6(13)3-7(8)14/h3-4,17H,1-2H3,(H,15,19).
What are the key properties of 3-(4-bromo-2-fluoro-5-hydroxyphenyl)-5-propan-2-ylideneimidazolidine-2,4-dione?
3-(4-bromo-2-fluoro-5-hydroxyphenyl)-5-propan-2-ylideneimidazolidine-2,4-dione has a molecular weight of 329.13 g/mol, XLogP of 2.64, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-2-fluoro-5-hydroxyphenyl)-5-propan-2-ylideneimidazolidine-2,4-dione is sourced from PubChem (CID 14370827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).