[(1R)-1-(2,4-difluorophenyl)ethyl]-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]azanium

C13H16F2N3O2+ — CID 9369442

IUPAC[(1R)-1-(2,4-difluorophenyl)ethyl]-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]azanium
SMILESC[C@@H]([NH2+]CC(=O)N1CCNC1=O)c1ccc(F)cc1F
InChIInChI=1S/C13H15F2N3O2/c1-8(10-3-2-9(14)6-11(10)15)17-7-12(19)18-5-4-16-13(18)20/h2-3,6,8,17H,4-5,7H2,1H3,(H,16,20)/p+1/t8-/m1/s1
InChIKeyNQQLUBWUOCXGCA-MRVPVSSYSA-O
MW284.29 g/mol
LogP0.14
Rot. Bonds4

About [(1R)-1-(2,4-difluorophenyl)ethyl]-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]azanium

[(1R)-1-(2,4-difluorophenyl)ethyl]-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]azanium (PubChem CID 9369442) has the molecular formula C13H16F2N3O2+ and a molecular weight of 284.29 g/mol. Its IUPAC name is [(1R)-1-(2,4-difluorophenyl)ethyl]-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]azanium.

Molecular Properties

Compound Name[(1R)-1-(2,4-difluorophenyl)ethyl]-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]azanium
PubChem CID9369442
Molecular FormulaC13H16F2N3O2+
Molecular Weight284.29 g/mol
Exact Mass284.12
IUPAC Name[(1R)-1-(2,4-difluorophenyl)ethyl]-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]azanium
SMILESC[C@@H]([NH2+]CC(=O)N1CCNC1=O)c1ccc(F)cc1F
InChIInChI=1S/C13H15F2N3O2/c1-8(10-3-2-9(14)6-11(10)15)17-7-12(19)18-5-4-16-13(18)20/h2-3,6,8,17H,4-5,7H2,1H3,(H,16,20)/p+1/t8-/m1/s1
InChIKeyNQQLUBWUOCXGCA-MRVPVSSYSA-O
XLogP0.14
TPSA66.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [(1R)-1-(2,4-difluorophenyl)ethyl]-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]azanium with MolForge

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Related Compounds

1-[(2S)-2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]propanoyl]imidazolidin-2-one
CID 8689076
1-[2-[1-(2,5-difluorophenyl)ethyl-methylamino]acetyl]imidazolidin-2-one
CID 56815809
[(1R)-1-(2,4-difluorophenyl)ethyl]-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]azanium
CID 8593616
[(1S)-1-(2,4-difluorophenyl)ethyl]-[2-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-2-oxoethyl]azanium
CID 8688434
[(1S)-1-(3-bromo-4-methoxyphenyl)ethyl]-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]azanium
CID 9001573
[(1S)-1-(2,4-difluorophenyl)ethyl]-[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]azanium
CID 8687959
1-[(2R)-2-(2,5-difluorophenyl)sulfanylpropanoyl]imidazolidin-2-one
CID 9062916
[(1R)-1-(2,4-difluorophenyl)ethyl]-[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]azanium
CID 8688036
[(1R)-1-(2,4-difluorophenyl)ethyl]-[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]azanium
CID 9369197
1-[2-[2-(2,4-difluoroanilino)anilino]acetyl]imidazolidin-2-one
CID 75448645
2-[1-(2,4-difluorophenyl)ethylamino]-1-pyrrolidin-1-ylethanone
CID 115573568
[2-(3,4-difluoroanilino)-2-oxoethyl]-[(1R)-1-(2,4-difluorophenyl)ethyl]azanium
CID 9369639

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(2,4-difluorophenyl)ethyl]-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]azanium?
The IUPAC name of [(1R)-1-(2,4-difluorophenyl)ethyl]-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]azanium (CID 9369442) is [(1R)-1-(2,4-difluorophenyl)ethyl]-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]azanium.
What is the SMILES notation for [(1R)-1-(2,4-difluorophenyl)ethyl]-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]azanium?
The canonical SMILES for [(1R)-1-(2,4-difluorophenyl)ethyl]-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]azanium is C[C@@H]([NH2+]CC(=O)N1CCNC1=O)c1ccc(F)cc1F.
What is the InChIKey of [(1R)-1-(2,4-difluorophenyl)ethyl]-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]azanium?
The InChIKey is NQQLUBWUOCXGCA-MRVPVSSYSA-O. The full InChI is InChI=1S/C13H15F2N3O2/c1-8(10-3-2-9(14)6-11(10)15)17-7-12(19)18-5-4-16-13(18)20/h2-3,6,8,17H,4-5,7H2,1H3,(H,16,20)/p+1/t8-/m1/s1.
What are the key properties of [(1R)-1-(2,4-difluorophenyl)ethyl]-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]azanium?
[(1R)-1-(2,4-difluorophenyl)ethyl]-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]azanium has a molecular weight of 284.29 g/mol, XLogP of 0.14, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(2,4-difluorophenyl)ethyl]-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]azanium is sourced from PubChem (CID 9369442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).