1-[2-(3-fluoroanilino)ethyl]imidazolidin-2-one

C11H14FN3O — CID 28580726

IUPAC1-[2-(3-fluoroanilino)ethyl]imidazolidin-2-one
SMILESO=C1NCCN1CCNc1cccc(F)c1
InChIInChI=1S/C11H14FN3O/c12-9-2-1-3-10(8-9)13-4-6-15-7-5-14-11(15)16/h1-3,8,13H,4-7H2,(H,14,16)
InChIKeyWRTNIRZLNBUAQZ-UHFFFAOYSA-N
MW223.25 g/mol
LogP1.26
Rot. Bonds4

About 1-[2-(3-fluoroanilino)ethyl]imidazolidin-2-one

1-[2-(3-fluoroanilino)ethyl]imidazolidin-2-one (PubChem CID 28580726) has the molecular formula C11H14FN3O and a molecular weight of 223.25 g/mol. Its IUPAC name is 1-[2-(3-fluoroanilino)ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-(3-fluoroanilino)ethyl]imidazolidin-2-one
PubChem CID28580726
Molecular FormulaC11H14FN3O
Molecular Weight223.25 g/mol
Exact Mass223.11
IUPAC Name1-[2-(3-fluoroanilino)ethyl]imidazolidin-2-one
SMILESO=C1NCCN1CCNc1cccc(F)c1
InChIInChI=1S/C11H14FN3O/c12-9-2-1-3-10(8-9)13-4-6-15-7-5-14-11(15)16/h1-3,8,13H,4-7H2,(H,14,16)
InChIKeyWRTNIRZLNBUAQZ-UHFFFAOYSA-N
XLogP1.26
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluoroanilino)ethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-(3-fluoroanilino)ethyl]imidazolidin-2-one (CID 28580726) is 1-[2-(3-fluoroanilino)ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-(3-fluoroanilino)ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-(3-fluoroanilino)ethyl]imidazolidin-2-one is O=C1NCCN1CCNc1cccc(F)c1.
What is the InChIKey of 1-[2-(3-fluoroanilino)ethyl]imidazolidin-2-one?
The InChIKey is WRTNIRZLNBUAQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O/c12-9-2-1-3-10(8-9)13-4-6-15-7-5-14-11(15)16/h1-3,8,13H,4-7H2,(H,14,16).
What are the key properties of 1-[2-(3-fluoroanilino)ethyl]imidazolidin-2-one?
1-[2-(3-fluoroanilino)ethyl]imidazolidin-2-one has a molecular weight of 223.25 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluoroanilino)ethyl]imidazolidin-2-one is sourced from PubChem (CID 28580726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).