1-(2,6-dichloro-3-fluorophenyl)ethyl 4-(2-oxoimidazolidin-1-yl)benzoate

C18H15Cl2FN2O3 — CID 60584670

IUPAC1-(2,6-dichloro-3-fluorophenyl)ethyl 4-(2-oxoimidazolidin-1-yl)benzoate
SMILESCC(OC(=O)c1ccc(N2CCNC2=O)cc1)c1c(Cl)ccc(F)c1Cl
InChIInChI=1S/C18H15Cl2FN2O3/c1-10(15-13(19)6-7-14(21)16(15)20)26-17(24)11-2-4-12(5-3-11)23-9-8-22-18(23)25/h2-7,10H,8-9H2,1H3,(H,22,25)
InChIKeyDDBCOCHAOYREDX-UHFFFAOYSA-N
MW397.23 g/mol
LogP4.58
Rot. Bonds4

About 1-(2,6-dichloro-3-fluorophenyl)ethyl 4-(2-oxoimidazolidin-1-yl)benzoate

1-(2,6-dichloro-3-fluorophenyl)ethyl 4-(2-oxoimidazolidin-1-yl)benzoate (PubChem CID 60584670) has the molecular formula C18H15Cl2FN2O3 and a molecular weight of 397.23 g/mol. Its IUPAC name is 1-(2,6-dichloro-3-fluorophenyl)ethyl 4-(2-oxoimidazolidin-1-yl)benzoate.

Molecular Properties

Compound Name1-(2,6-dichloro-3-fluorophenyl)ethyl 4-(2-oxoimidazolidin-1-yl)benzoate
PubChem CID60584670
Molecular FormulaC18H15Cl2FN2O3
Molecular Weight397.23 g/mol
Exact Mass396.04
IUPAC Name1-(2,6-dichloro-3-fluorophenyl)ethyl 4-(2-oxoimidazolidin-1-yl)benzoate
SMILESCC(OC(=O)c1ccc(N2CCNC2=O)cc1)c1c(Cl)ccc(F)c1Cl
InChIInChI=1S/C18H15Cl2FN2O3/c1-10(15-13(19)6-7-14(21)16(15)20)26-17(24)11-2-4-12(5-3-11)23-9-8-22-18(23)25/h2-7,10H,8-9H2,1H3,(H,22,25)
InChIKeyDDBCOCHAOYREDX-UHFFFAOYSA-N
XLogP4.58
TPSA58.64 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 ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichloro-3-fluorophenyl)ethyl 4-(2-oxoimidazolidin-1-yl)benzoate?
The IUPAC name of 1-(2,6-dichloro-3-fluorophenyl)ethyl 4-(2-oxoimidazolidin-1-yl)benzoate (CID 60584670) is 1-(2,6-dichloro-3-fluorophenyl)ethyl 4-(2-oxoimidazolidin-1-yl)benzoate.
What is the SMILES notation for 1-(2,6-dichloro-3-fluorophenyl)ethyl 4-(2-oxoimidazolidin-1-yl)benzoate?
The canonical SMILES for 1-(2,6-dichloro-3-fluorophenyl)ethyl 4-(2-oxoimidazolidin-1-yl)benzoate is CC(OC(=O)c1ccc(N2CCNC2=O)cc1)c1c(Cl)ccc(F)c1Cl.
What is the InChIKey of 1-(2,6-dichloro-3-fluorophenyl)ethyl 4-(2-oxoimidazolidin-1-yl)benzoate?
The InChIKey is DDBCOCHAOYREDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2FN2O3/c1-10(15-13(19)6-7-14(21)16(15)20)26-17(24)11-2-4-12(5-3-11)23-9-8-22-18(23)25/h2-7,10H,8-9H2,1H3,(H,22,25).
What are the key properties of 1-(2,6-dichloro-3-fluorophenyl)ethyl 4-(2-oxoimidazolidin-1-yl)benzoate?
1-(2,6-dichloro-3-fluorophenyl)ethyl 4-(2-oxoimidazolidin-1-yl)benzoate has a molecular weight of 397.23 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichloro-3-fluorophenyl)ethyl 4-(2-oxoimidazolidin-1-yl)benzoate is sourced from PubChem (CID 60584670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).