5-(4-bromophenyl)-3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-ethylimidazolidine-2,4-dione

C19H15BrF2N2O3 — CID 155564447

IUPAC5-(4-bromophenyl)-3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-ethylimidazolidine-2,4-dione
SMILESCCC1(c2ccc(Br)cc2)NC(=O)N(CC(=O)c2ccc(F)cc2F)C1=O
InChIInChI=1S/C19H15BrF2N2O3/c1-2-19(11-3-5-12(20)6-4-11)17(26)24(18(27)23-19)10-16(25)14-8-7-13(21)9-15(14)22/h3-9H,2,10H2,1H3,(H,23,27)
InChIKeySMTSJQGQTLTLGB-UHFFFAOYSA-N
MW437.24 g/mol
LogP3.77
Rot. Bonds5

About 5-(4-bromophenyl)-3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-ethylimidazolidine-2,4-dione

5-(4-bromophenyl)-3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-ethylimidazolidine-2,4-dione (PubChem CID 155564447) has the molecular formula C19H15BrF2N2O3 and a molecular weight of 437.24 g/mol. Its IUPAC name is 5-(4-bromophenyl)-3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-ethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(4-bromophenyl)-3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-ethylimidazolidine-2,4-dione
PubChem CID155564447
Molecular FormulaC19H15BrF2N2O3
Molecular Weight437.24 g/mol
Exact Mass436.02
IUPAC Name5-(4-bromophenyl)-3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-ethylimidazolidine-2,4-dione
SMILESCCC1(c2ccc(Br)cc2)NC(=O)N(CC(=O)c2ccc(F)cc2F)C1=O
InChIInChI=1S/C19H15BrF2N2O3/c1-2-19(11-3-5-12(20)6-4-11)17(26)24(18(27)23-19)10-16(25)14-8-7-13(21)9-15(14)22/h3-9H,2,10H2,1H3,(H,23,27)
InChIKeySMTSJQGQTLTLGB-UHFFFAOYSA-N
XLogP3.77
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.24
LogP ≤ 53.77
H-Bond Donors ≤ 51
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 5-(4-bromophenyl)-3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-ethylimidazolidine-2,4-dione?
The IUPAC name of 5-(4-bromophenyl)-3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-ethylimidazolidine-2,4-dione (CID 155564447) is 5-(4-bromophenyl)-3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-ethylimidazolidine-2,4-dione.
What is the SMILES notation for 5-(4-bromophenyl)-3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-ethylimidazolidine-2,4-dione?
The canonical SMILES for 5-(4-bromophenyl)-3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-ethylimidazolidine-2,4-dione is CCC1(c2ccc(Br)cc2)NC(=O)N(CC(=O)c2ccc(F)cc2F)C1=O.
What is the InChIKey of 5-(4-bromophenyl)-3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-ethylimidazolidine-2,4-dione?
The InChIKey is SMTSJQGQTLTLGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrF2N2O3/c1-2-19(11-3-5-12(20)6-4-11)17(26)24(18(27)23-19)10-16(25)14-8-7-13(21)9-15(14)22/h3-9H,2,10H2,1H3,(H,23,27).
What are the key properties of 5-(4-bromophenyl)-3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-ethylimidazolidine-2,4-dione?
5-(4-bromophenyl)-3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-ethylimidazolidine-2,4-dione has a molecular weight of 437.24 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-ethylimidazolidine-2,4-dione is sourced from PubChem (CID 155564447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).