3-[3-(4-bromo-2-chlorophenoxy)propyl]-5,5-dimethylimidazolidine-2,4-dione

C14H16BrClN2O3 — CID 2216133

IUPAC3-[3-(4-bromo-2-chlorophenoxy)propyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(CCCOc2ccc(Br)cc2Cl)C1=O
InChIInChI=1S/C14H16BrClN2O3/c1-14(2)12(19)18(13(20)17-14)6-3-7-21-11-5-4-9(15)8-10(11)16/h4-5,8H,3,6-7H2,1-2H3,(H,17,20)
InChIKeyNGRRLZGYFLUGGO-UHFFFAOYSA-N
MW375.65 g/mol
LogP3.20
Rot. Bonds5

About 3-[3-(4-bromo-2-chlorophenoxy)propyl]-5,5-dimethylimidazolidine-2,4-dione

3-[3-(4-bromo-2-chlorophenoxy)propyl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 2216133) has the molecular formula C14H16BrClN2O3 and a molecular weight of 375.65 g/mol. Its IUPAC name is 3-[3-(4-bromo-2-chlorophenoxy)propyl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[3-(4-bromo-2-chlorophenoxy)propyl]-5,5-dimethylimidazolidine-2,4-dione
PubChem CID2216133
Molecular FormulaC14H16BrClN2O3
Molecular Weight375.65 g/mol
Exact Mass374.00
IUPAC Name3-[3-(4-bromo-2-chlorophenoxy)propyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(CCCOc2ccc(Br)cc2Cl)C1=O
InChIInChI=1S/C14H16BrClN2O3/c1-14(2)12(19)18(13(20)17-14)6-3-7-21-11-5-4-9(15)8-10(11)16/h4-5,8H,3,6-7H2,1-2H3,(H,17,20)
InChIKeyNGRRLZGYFLUGGO-UHFFFAOYSA-N
XLogP3.20
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.65
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-bromo-2-chlorophenoxy)propyl]-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 3-[3-(4-bromo-2-chlorophenoxy)propyl]-5,5-dimethylimidazolidine-2,4-dione (CID 2216133) is 3-[3-(4-bromo-2-chlorophenoxy)propyl]-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[3-(4-bromo-2-chlorophenoxy)propyl]-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 3-[3-(4-bromo-2-chlorophenoxy)propyl]-5,5-dimethylimidazolidine-2,4-dione is CC1(C)NC(=O)N(CCCOc2ccc(Br)cc2Cl)C1=O.
What is the InChIKey of 3-[3-(4-bromo-2-chlorophenoxy)propyl]-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is NGRRLZGYFLUGGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrClN2O3/c1-14(2)12(19)18(13(20)17-14)6-3-7-21-11-5-4-9(15)8-10(11)16/h4-5,8H,3,6-7H2,1-2H3,(H,17,20).
What are the key properties of 3-[3-(4-bromo-2-chlorophenoxy)propyl]-5,5-dimethylimidazolidine-2,4-dione?
3-[3-(4-bromo-2-chlorophenoxy)propyl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 375.65 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-bromo-2-chlorophenoxy)propyl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 2216133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).