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

C18H18ClN2O2+ — CID 8598258

IUPAC[(1R)-1-(2-chlorophenyl)ethyl]-[2-(1,3-dioxoisoindol-2-yl)ethyl]azanium
SMILESC[C@@H]([NH2+]CCN1C(=O)c2ccccc2C1=O)c1ccccc1Cl
InChIInChI=1S/C18H17ClN2O2/c1-12(13-6-4-5-9-16(13)19)20-10-11-21-17(22)14-7-2-3-8-15(14)18(21)23/h2-9,12,20H,10-11H2,1H3/p+1/t12-/m1/s1
InChIKeyUAYVFLHYGBRNFD-GFCCVEGCSA-O
MW329.81 g/mol
LogP2.26
Rot. Bonds5

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

[(1R)-1-(2-chlorophenyl)ethyl]-[2-(1,3-dioxoisoindol-2-yl)ethyl]azanium (PubChem CID 8598258) has the molecular formula C18H18ClN2O2+ and a molecular weight of 329.81 g/mol. Its IUPAC name is [(1R)-1-(2-chlorophenyl)ethyl]-[2-(1,3-dioxoisoindol-2-yl)ethyl]azanium.

Molecular Properties

Compound Name[(1R)-1-(2-chlorophenyl)ethyl]-[2-(1,3-dioxoisoindol-2-yl)ethyl]azanium
PubChem CID8598258
Molecular FormulaC18H18ClN2O2+
Molecular Weight329.81 g/mol
Exact Mass329.11
IUPAC Name[(1R)-1-(2-chlorophenyl)ethyl]-[2-(1,3-dioxoisoindol-2-yl)ethyl]azanium
SMILESC[C@@H]([NH2+]CCN1C(=O)c2ccccc2C1=O)c1ccccc1Cl
InChIInChI=1S/C18H17ClN2O2/c1-12(13-6-4-5-9-16(13)19)20-10-11-21-17(22)14-7-2-3-8-15(14)18(21)23/h2-9,12,20H,10-11H2,1H3/p+1/t12-/m1/s1
InChIKeyUAYVFLHYGBRNFD-GFCCVEGCSA-O
XLogP2.26
TPSA53.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.81
LogP ≤ 52.26
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-(2,4-difluorophenyl)ethyl]-[2-(1,3-dioxoisoindol-2-yl)ethyl]azanium
CID 8687913
2-[2-[[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]ethyl]isoindole-1,3-dione
CID 8639357
2-[2-(2,6-dichlorophenyl)ethyl]isoindole-1,3-dione
CID 126721012
2-[4-(1,3-dioxoisoindol-2-yl)(1,4-13C2)butyl]isoindole-1,3-dione
CID 10784038
2-(2-propan-2-yloxyethyl)isoindole-1,3-dione
CID 58120400
2-(2-propan-2-ylsulfanylethyl)isoindole-1,3-dione
CID 13459000
2-(2-aminoethyl)isoindole-1,3-dione;hydrochloride
CID 22063849
hydron;2-propylisoindole-1,3-dione
CID 174827386
2-[2-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-2-oxoethyl]-3-methylideneisoindol-1-one
CID 55564152
2-[2-(2,5-dichlorophenyl)-2-hydroxyethyl]isoindole-1,3-dione
CID 91136158
2-(4-chloro-1,3-dioxoisoindol-2-yl)-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 113201411
[(1R)-1-(2-chlorophenyl)ethyl]-[2-oxo-2-(2-phenylanilino)ethyl]azanium
CID 9307286

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(2-chlorophenyl)ethyl]-[2-(1,3-dioxoisoindol-2-yl)ethyl]azanium?
The IUPAC name of [(1R)-1-(2-chlorophenyl)ethyl]-[2-(1,3-dioxoisoindol-2-yl)ethyl]azanium (CID 8598258) is [(1R)-1-(2-chlorophenyl)ethyl]-[2-(1,3-dioxoisoindol-2-yl)ethyl]azanium.
What is the SMILES notation for [(1R)-1-(2-chlorophenyl)ethyl]-[2-(1,3-dioxoisoindol-2-yl)ethyl]azanium?
The canonical SMILES for [(1R)-1-(2-chlorophenyl)ethyl]-[2-(1,3-dioxoisoindol-2-yl)ethyl]azanium is C[C@@H]([NH2+]CCN1C(=O)c2ccccc2C1=O)c1ccccc1Cl.
What is the InChIKey of [(1R)-1-(2-chlorophenyl)ethyl]-[2-(1,3-dioxoisoindol-2-yl)ethyl]azanium?
The InChIKey is UAYVFLHYGBRNFD-GFCCVEGCSA-O. The full InChI is InChI=1S/C18H17ClN2O2/c1-12(13-6-4-5-9-16(13)19)20-10-11-21-17(22)14-7-2-3-8-15(14)18(21)23/h2-9,12,20H,10-11H2,1H3/p+1/t12-/m1/s1.
What are the key properties of [(1R)-1-(2-chlorophenyl)ethyl]-[2-(1,3-dioxoisoindol-2-yl)ethyl]azanium?
[(1R)-1-(2-chlorophenyl)ethyl]-[2-(1,3-dioxoisoindol-2-yl)ethyl]azanium has a molecular weight of 329.81 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(2-chlorophenyl)ethyl]-[2-(1,3-dioxoisoindol-2-yl)ethyl]azanium is sourced from PubChem (CID 8598258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).