2-[[2-[(1R)-1-(azetidin-1-yl)ethyl]-6-fluorophenyl]methyl]isoindole-1,3-dione

C20H19FN2O2 — CID 134585961

IUPAC2-[[2-[(1R)-1-(azetidin-1-yl)ethyl]-6-fluorophenyl]methyl]isoindole-1,3-dione
SMILESC[C@H](c1cccc(F)c1CN1C(=O)c2ccccc2C1=O)N1CCC1
InChIInChI=1S/C20H19FN2O2/c1-13(22-10-5-11-22)14-8-4-9-18(21)17(14)12-23-19(24)15-6-2-3-7-16(15)20(23)25/h2-4,6-9,13H,5,10-12H2,1H3/t13-/m1/s1
InChIKeyZMQLDSIYQUQULQ-CYBMUJFWSA-N
MW338.38 g/mol
LogP3.39
Rot. Bonds4

About 2-[[2-[(1R)-1-(azetidin-1-yl)ethyl]-6-fluorophenyl]methyl]isoindole-1,3-dione

2-[[2-[(1R)-1-(azetidin-1-yl)ethyl]-6-fluorophenyl]methyl]isoindole-1,3-dione (PubChem CID 134585961) has the molecular formula C20H19FN2O2 and a molecular weight of 338.38 g/mol. Its IUPAC name is 2-[[2-[(1R)-1-(azetidin-1-yl)ethyl]-6-fluorophenyl]methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[[2-[(1R)-1-(azetidin-1-yl)ethyl]-6-fluorophenyl]methyl]isoindole-1,3-dione
PubChem CID134585961
Molecular FormulaC20H19FN2O2
Molecular Weight338.38 g/mol
Exact Mass338.14
IUPAC Name2-[[2-[(1R)-1-(azetidin-1-yl)ethyl]-6-fluorophenyl]methyl]isoindole-1,3-dione
SMILESC[C@H](c1cccc(F)c1CN1C(=O)c2ccccc2C1=O)N1CCC1
InChIInChI=1S/C20H19FN2O2/c1-13(22-10-5-11-22)14-8-4-9-18(21)17(14)12-23-19(24)15-6-2-3-7-16(15)20(23)25/h2-4,6-9,13H,5,10-12H2,1H3/t13-/m1/s1
InChIKeyZMQLDSIYQUQULQ-CYBMUJFWSA-N
XLogP3.39
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-[(1R)-1-aminoethyl]-6-fluorophenyl]methyl]isoindole-1,3-dione
CID 134586614
2-[(2,3,5,6-tetrafluorophenyl)methyl]isoindole-1,3-dione
CID 126720986
2-[1-(azetidin-1-yl)ethyl]-6-fluoro-N-methylaniline
CID 175233050
1-[(1S)-1-(2-fluorophenyl)ethyl]piperidin-4-one
CID 167714144
1-[1-(2-fluorophenyl)ethyl]-1,4-diazepane
CID 3818846
2-[2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]ethyl]isoindole-1,3-dione
CID 60622977
2-[2-(2-fluorophenyl)-2-hydroxyethyl]isoindole-1,3-dione
CID 42946404
1-[1-(2-iodophenyl)ethyl]azetidine
CID 126990795
2-[1-(2-fluorophenyl)ethyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 78986474
2-[2-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-2-oxoethyl]-3-methylideneisoindol-1-one
CID 55564152
2-[(4-fluorophenyl)methyl]isoindole-1,3-dione
CID 2774444
1-[(2,6-difluorophenyl)methyl]-3,4-dihydro-2H-1-benzazepin-5-one
CID 114930258

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(1R)-1-(azetidin-1-yl)ethyl]-6-fluorophenyl]methyl]isoindole-1,3-dione?
The IUPAC name of 2-[[2-[(1R)-1-(azetidin-1-yl)ethyl]-6-fluorophenyl]methyl]isoindole-1,3-dione (CID 134585961) is 2-[[2-[(1R)-1-(azetidin-1-yl)ethyl]-6-fluorophenyl]methyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[[2-[(1R)-1-(azetidin-1-yl)ethyl]-6-fluorophenyl]methyl]isoindole-1,3-dione?
The canonical SMILES for 2-[[2-[(1R)-1-(azetidin-1-yl)ethyl]-6-fluorophenyl]methyl]isoindole-1,3-dione is C[C@H](c1cccc(F)c1CN1C(=O)c2ccccc2C1=O)N1CCC1.
What is the InChIKey of 2-[[2-[(1R)-1-(azetidin-1-yl)ethyl]-6-fluorophenyl]methyl]isoindole-1,3-dione?
The InChIKey is ZMQLDSIYQUQULQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H19FN2O2/c1-13(22-10-5-11-22)14-8-4-9-18(21)17(14)12-23-19(24)15-6-2-3-7-16(15)20(23)25/h2-4,6-9,13H,5,10-12H2,1H3/t13-/m1/s1.
What are the key properties of 2-[[2-[(1R)-1-(azetidin-1-yl)ethyl]-6-fluorophenyl]methyl]isoindole-1,3-dione?
2-[[2-[(1R)-1-(azetidin-1-yl)ethyl]-6-fluorophenyl]methyl]isoindole-1,3-dione has a molecular weight of 338.38 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(1R)-1-(azetidin-1-yl)ethyl]-6-fluorophenyl]methyl]isoindole-1,3-dione is sourced from PubChem (CID 134585961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).