3-(3,4-dichlorophenyl)-1-(2-fluoroethyl)-5-(4-hydroxyphenyl)-5-methylimidazolidine-2,4-dione

C18H15Cl2FN2O3 — CID 59448810

IUPAC3-(3,4-dichlorophenyl)-1-(2-fluoroethyl)-5-(4-hydroxyphenyl)-5-methylimidazolidine-2,4-dione
SMILESCC1(c2ccc(O)cc2)C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)N1CCF
InChIInChI=1S/C18H15Cl2FN2O3/c1-18(11-2-5-13(24)6-3-11)16(25)23(17(26)22(18)9-8-21)12-4-7-14(19)15(20)10-12/h2-7,10,24H,8-9H2,1H3
InChIKeyHPWOEZCIQGNSMM-UHFFFAOYSA-N
MW397.23 g/mol
LogP4.35
Rot. Bonds4

About 3-(3,4-dichlorophenyl)-1-(2-fluoroethyl)-5-(4-hydroxyphenyl)-5-methylimidazolidine-2,4-dione

3-(3,4-dichlorophenyl)-1-(2-fluoroethyl)-5-(4-hydroxyphenyl)-5-methylimidazolidine-2,4-dione (PubChem CID 59448810) has the molecular formula C18H15Cl2FN2O3 and a molecular weight of 397.23 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-1-(2-fluoroethyl)-5-(4-hydroxyphenyl)-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-1-(2-fluoroethyl)-5-(4-hydroxyphenyl)-5-methylimidazolidine-2,4-dione
PubChem CID59448810
Molecular FormulaC18H15Cl2FN2O3
Molecular Weight397.23 g/mol
Exact Mass396.04
IUPAC Name3-(3,4-dichlorophenyl)-1-(2-fluoroethyl)-5-(4-hydroxyphenyl)-5-methylimidazolidine-2,4-dione
SMILESCC1(c2ccc(O)cc2)C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)N1CCF
InChIInChI=1S/C18H15Cl2FN2O3/c1-18(11-2-5-13(24)6-3-11)16(25)23(17(26)22(18)9-8-21)12-4-7-14(19)15(20)10-12/h2-7,10,24H,8-9H2,1H3
InChIKeyHPWOEZCIQGNSMM-UHFFFAOYSA-N
XLogP4.35
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.23
LogP ≤ 54.35
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 3-(3,4-dichlorophenyl)-1-(2-fluoroethyl)-5-(4-hydroxyphenyl)-5-methylimidazolidine-2,4-dione?
The IUPAC name of 3-(3,4-dichlorophenyl)-1-(2-fluoroethyl)-5-(4-hydroxyphenyl)-5-methylimidazolidine-2,4-dione (CID 59448810) is 3-(3,4-dichlorophenyl)-1-(2-fluoroethyl)-5-(4-hydroxyphenyl)-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-1-(2-fluoroethyl)-5-(4-hydroxyphenyl)-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 3-(3,4-dichlorophenyl)-1-(2-fluoroethyl)-5-(4-hydroxyphenyl)-5-methylimidazolidine-2,4-dione is CC1(c2ccc(O)cc2)C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)N1CCF.
What is the InChIKey of 3-(3,4-dichlorophenyl)-1-(2-fluoroethyl)-5-(4-hydroxyphenyl)-5-methylimidazolidine-2,4-dione?
The InChIKey is HPWOEZCIQGNSMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2FN2O3/c1-18(11-2-5-13(24)6-3-11)16(25)23(17(26)22(18)9-8-21)12-4-7-14(19)15(20)10-12/h2-7,10,24H,8-9H2,1H3.
What are the key properties of 3-(3,4-dichlorophenyl)-1-(2-fluoroethyl)-5-(4-hydroxyphenyl)-5-methylimidazolidine-2,4-dione?
3-(3,4-dichlorophenyl)-1-(2-fluoroethyl)-5-(4-hydroxyphenyl)-5-methylimidazolidine-2,4-dione has a molecular weight of 397.23 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-1-(2-fluoroethyl)-5-(4-hydroxyphenyl)-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 59448810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).