[(1R)-1-(2,4-difluorophenyl)ethyl]-[2-(1,3-dioxoisoindol-2-yl)ethyl]azanium

C18H17F2N2O2+ — CID 8687913

IUPAC[(1R)-1-(2,4-difluorophenyl)ethyl]-[2-(1,3-dioxoisoindol-2-yl)ethyl]azanium
SMILESC[C@@H]([NH2+]CCN1C(=O)c2ccccc2C1=O)c1ccc(F)cc1F
InChIInChI=1S/C18H16F2N2O2/c1-11(13-7-6-12(19)10-16(13)20)21-8-9-22-17(23)14-4-2-3-5-15(14)18(22)24/h2-7,10-11,21H,8-9H2,1H3/p+1/t11-/m1/s1
InChIKeyOUIOKFTXCSUTLB-LLVKDONJSA-O
MW331.34 g/mol
LogP1.89
Rot. Bonds5

About [(1R)-1-(2,4-difluorophenyl)ethyl]-[2-(1,3-dioxoisoindol-2-yl)ethyl]azanium

[(1R)-1-(2,4-difluorophenyl)ethyl]-[2-(1,3-dioxoisoindol-2-yl)ethyl]azanium (PubChem CID 8687913) has the molecular formula C18H17F2N2O2+ and a molecular weight of 331.34 g/mol. Its IUPAC name is [(1R)-1-(2,4-difluorophenyl)ethyl]-[2-(1,3-dioxoisoindol-2-yl)ethyl]azanium.

Molecular Properties

Compound Name[(1R)-1-(2,4-difluorophenyl)ethyl]-[2-(1,3-dioxoisoindol-2-yl)ethyl]azanium
PubChem CID8687913
Molecular FormulaC18H17F2N2O2+
Molecular Weight331.34 g/mol
Exact Mass331.13
IUPAC Name[(1R)-1-(2,4-difluorophenyl)ethyl]-[2-(1,3-dioxoisoindol-2-yl)ethyl]azanium
SMILESC[C@@H]([NH2+]CCN1C(=O)c2ccccc2C1=O)c1ccc(F)cc1F
InChIInChI=1S/C18H16F2N2O2/c1-11(13-7-6-12(19)10-16(13)20)21-8-9-22-17(23)14-4-2-3-5-15(14)18(22)24/h2-7,10-11,21H,8-9H2,1H3/p+1/t11-/m1/s1
InChIKeyOUIOKFTXCSUTLB-LLVKDONJSA-O
XLogP1.89
TPSA53.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(1R)-1-(2-chlorophenyl)ethyl]-[2-(1,3-dioxoisoindol-2-yl)ethyl]azanium
CID 8598258
2-[2-(2,4-difluorophenyl)-2-hydroxyethyl]isoindole-1,3-dione
CID 110885169
2-[2-(2,5-difluorophenyl)sulfanylethyl]isoindole-1,3-dione
CID 8869917
4-[1-[2-(1,3-dioxoisoindol-2-yl)ethylamino]ethyl]-3-fluorobenzonitrile
CID 86814917
2-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-5-fluoroisoindole-1,3-dione
CID 111751775
N-[1-(2,4-difluorophenyl)ethyl]-3-[(1,3-dioxoisoindol-2-yl)methyl]benzamide
CID 112763749
2-[4-(2,4-difluoroanilino)butyl]isoindole-1,3-dione
CID 3920815
2-[2-[[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]ethyl]isoindole-1,3-dione
CID 8639357
2-[2-(2-ethoxy-5-fluorophenoxy)ethyl]isoindole-1,3-dione
CID 22157085
2-[4-[(2,4-difluorophenyl)methylamino]butyl]isoindole-1,3-dione
CID 118733336
[(2S)-1-amino-1-oxopropan-2-yl]-[(1S)-1-(2,4-difluorophenyl)ethyl]azanium
CID 8688014
[(1R)-1-(2,4-difluorophenyl)ethyl]-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]azanium
CID 9369442

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(2,4-difluorophenyl)ethyl]-[2-(1,3-dioxoisoindol-2-yl)ethyl]azanium?
The IUPAC name of [(1R)-1-(2,4-difluorophenyl)ethyl]-[2-(1,3-dioxoisoindol-2-yl)ethyl]azanium (CID 8687913) is [(1R)-1-(2,4-difluorophenyl)ethyl]-[2-(1,3-dioxoisoindol-2-yl)ethyl]azanium.
What is the SMILES notation for [(1R)-1-(2,4-difluorophenyl)ethyl]-[2-(1,3-dioxoisoindol-2-yl)ethyl]azanium?
The canonical SMILES for [(1R)-1-(2,4-difluorophenyl)ethyl]-[2-(1,3-dioxoisoindol-2-yl)ethyl]azanium is C[C@@H]([NH2+]CCN1C(=O)c2ccccc2C1=O)c1ccc(F)cc1F.
What is the InChIKey of [(1R)-1-(2,4-difluorophenyl)ethyl]-[2-(1,3-dioxoisoindol-2-yl)ethyl]azanium?
The InChIKey is OUIOKFTXCSUTLB-LLVKDONJSA-O. The full InChI is InChI=1S/C18H16F2N2O2/c1-11(13-7-6-12(19)10-16(13)20)21-8-9-22-17(23)14-4-2-3-5-15(14)18(22)24/h2-7,10-11,21H,8-9H2,1H3/p+1/t11-/m1/s1.
What are the key properties of [(1R)-1-(2,4-difluorophenyl)ethyl]-[2-(1,3-dioxoisoindol-2-yl)ethyl]azanium?
[(1R)-1-(2,4-difluorophenyl)ethyl]-[2-(1,3-dioxoisoindol-2-yl)ethyl]azanium has a molecular weight of 331.34 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(2,4-difluorophenyl)ethyl]-[2-(1,3-dioxoisoindol-2-yl)ethyl]azanium is sourced from PubChem (CID 8687913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).