N-[2-(2-oxoimidazolidin-1-yl)ethyl]-4-(trifluoromethoxy)benzamide

C13H14F3N3O3 — CID 2810724

IUPACN-[2-(2-oxoimidazolidin-1-yl)ethyl]-4-(trifluoromethoxy)benzamide
SMILESO=C(NCCN1CCNC1=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C13H14F3N3O3/c14-13(15,16)22-10-3-1-9(2-4-10)11(20)17-5-7-19-8-6-18-12(19)21/h1-4H,5-8H2,(H,17,20)(H,18,21)
InChIKeyKFGRPNGZBWVPDV-UHFFFAOYSA-N
MW317.27 g/mol
LogP1.34
Rot. Bonds5

About N-[2-(2-oxoimidazolidin-1-yl)ethyl]-4-(trifluoromethoxy)benzamide

N-[2-(2-oxoimidazolidin-1-yl)ethyl]-4-(trifluoromethoxy)benzamide (PubChem CID 2810724) has the molecular formula C13H14F3N3O3 and a molecular weight of 317.27 g/mol. Its IUPAC name is N-[2-(2-oxoimidazolidin-1-yl)ethyl]-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[2-(2-oxoimidazolidin-1-yl)ethyl]-4-(trifluoromethoxy)benzamide
PubChem CID2810724
Molecular FormulaC13H14F3N3O3
Molecular Weight317.27 g/mol
Exact Mass317.10
IUPAC NameN-[2-(2-oxoimidazolidin-1-yl)ethyl]-4-(trifluoromethoxy)benzamide
SMILESO=C(NCCN1CCNC1=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C13H14F3N3O3/c14-13(15,16)22-10-3-1-9(2-4-10)11(20)17-5-7-19-8-6-18-12(19)21/h1-4H,5-8H2,(H,17,20)(H,18,21)
InChIKeyKFGRPNGZBWVPDV-UHFFFAOYSA-N
XLogP1.34
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.27
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-oxoimidazolidin-1-yl)ethyl]-4-(trifluoromethoxy)benzamide?
The IUPAC name of N-[2-(2-oxoimidazolidin-1-yl)ethyl]-4-(trifluoromethoxy)benzamide (CID 2810724) is N-[2-(2-oxoimidazolidin-1-yl)ethyl]-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[2-(2-oxoimidazolidin-1-yl)ethyl]-4-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[2-(2-oxoimidazolidin-1-yl)ethyl]-4-(trifluoromethoxy)benzamide is O=C(NCCN1CCNC1=O)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-[2-(2-oxoimidazolidin-1-yl)ethyl]-4-(trifluoromethoxy)benzamide?
The InChIKey is KFGRPNGZBWVPDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3O3/c14-13(15,16)22-10-3-1-9(2-4-10)11(20)17-5-7-19-8-6-18-12(19)21/h1-4H,5-8H2,(H,17,20)(H,18,21).
What are the key properties of N-[2-(2-oxoimidazolidin-1-yl)ethyl]-4-(trifluoromethoxy)benzamide?
N-[2-(2-oxoimidazolidin-1-yl)ethyl]-4-(trifluoromethoxy)benzamide has a molecular weight of 317.27 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-oxoimidazolidin-1-yl)ethyl]-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 2810724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).