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

C13H12BrFN2O3 — CID 14370828

IUPAC3-(4-bromo-2-fluoro-5-hydroxyphenyl)-1-methyl-5-propan-2-ylideneimidazolidine-2,4-dione
SMILESCC(C)=C1C(=O)N(c2cc(O)c(Br)cc2F)C(=O)N1C
InChIInChI=1S/C13H12BrFN2O3/c1-6(2)11-12(19)17(13(20)16(11)3)9-5-10(18)7(14)4-8(9)15/h4-5,18H,1-3H3
InChIKeyIZBAQRMPDMMXAO-UHFFFAOYSA-N
MW343.15 g/mol
LogP2.99
Rot. Bonds1

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

3-(4-bromo-2-fluoro-5-hydroxyphenyl)-1-methyl-5-propan-2-ylideneimidazolidine-2,4-dione (PubChem CID 14370828) has the molecular formula C13H12BrFN2O3 and a molecular weight of 343.15 g/mol. Its IUPAC name is 3-(4-bromo-2-fluoro-5-hydroxyphenyl)-1-methyl-5-propan-2-ylideneimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(4-bromo-2-fluoro-5-hydroxyphenyl)-1-methyl-5-propan-2-ylideneimidazolidine-2,4-dione
PubChem CID14370828
Molecular FormulaC13H12BrFN2O3
Molecular Weight343.15 g/mol
Exact Mass342.00
IUPAC Name3-(4-bromo-2-fluoro-5-hydroxyphenyl)-1-methyl-5-propan-2-ylideneimidazolidine-2,4-dione
SMILESCC(C)=C1C(=O)N(c2cc(O)c(Br)cc2F)C(=O)N1C
InChIInChI=1S/C13H12BrFN2O3/c1-6(2)11-12(19)17(13(20)16(11)3)9-5-10(18)7(14)4-8(9)15/h4-5,18H,1-3H3
InChIKeyIZBAQRMPDMMXAO-UHFFFAOYSA-N
XLogP2.99
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.15
LogP ≤ 52.99
H-Bond Donors ≤ 51
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)-1-methyl-5-propan-2-ylideneimidazolidine-2,4-dione?
The IUPAC name of 3-(4-bromo-2-fluoro-5-hydroxyphenyl)-1-methyl-5-propan-2-ylideneimidazolidine-2,4-dione (CID 14370828) is 3-(4-bromo-2-fluoro-5-hydroxyphenyl)-1-methyl-5-propan-2-ylideneimidazolidine-2,4-dione.
What is the SMILES notation for 3-(4-bromo-2-fluoro-5-hydroxyphenyl)-1-methyl-5-propan-2-ylideneimidazolidine-2,4-dione?
The canonical SMILES for 3-(4-bromo-2-fluoro-5-hydroxyphenyl)-1-methyl-5-propan-2-ylideneimidazolidine-2,4-dione is CC(C)=C1C(=O)N(c2cc(O)c(Br)cc2F)C(=O)N1C.
What is the InChIKey of 3-(4-bromo-2-fluoro-5-hydroxyphenyl)-1-methyl-5-propan-2-ylideneimidazolidine-2,4-dione?
The InChIKey is IZBAQRMPDMMXAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrFN2O3/c1-6(2)11-12(19)17(13(20)16(11)3)9-5-10(18)7(14)4-8(9)15/h4-5,18H,1-3H3.
What are the key properties of 3-(4-bromo-2-fluoro-5-hydroxyphenyl)-1-methyl-5-propan-2-ylideneimidazolidine-2,4-dione?
3-(4-bromo-2-fluoro-5-hydroxyphenyl)-1-methyl-5-propan-2-ylideneimidazolidine-2,4-dione has a molecular weight of 343.15 g/mol, XLogP of 2.99, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-2-fluoro-5-hydroxyphenyl)-1-methyl-5-propan-2-ylideneimidazolidine-2,4-dione is sourced from PubChem (CID 14370828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).