2-[2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]ethyl]isoindole-1,3-dione

C20H19FN2O3 — CID 36737030

IUPAC2-[2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]ethyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCN1CCO[C@@H](c2ccc(F)cc2)C1
InChIInChI=1S/C20H19FN2O3/c21-15-7-5-14(6-8-15)18-13-22(11-12-26-18)9-10-23-19(24)16-3-1-2-4-17(16)20(23)25/h1-8,18H,9-13H2/t18-/m1/s1
InChIKeyHWHAFLISNBWSHL-GOSISDBHSA-N
MW354.38 g/mol
LogP2.50
Rot. Bonds4

About 2-[2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]ethyl]isoindole-1,3-dione

2-[2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]ethyl]isoindole-1,3-dione (PubChem CID 36737030) has the molecular formula C20H19FN2O3 and a molecular weight of 354.38 g/mol. Its IUPAC name is 2-[2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]ethyl]isoindole-1,3-dione
PubChem CID36737030
Molecular FormulaC20H19FN2O3
Molecular Weight354.38 g/mol
Exact Mass354.14
IUPAC Name2-[2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]ethyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCN1CCO[C@@H](c2ccc(F)cc2)C1
InChIInChI=1S/C20H19FN2O3/c21-15-7-5-14(6-8-15)18-13-22(11-12-26-18)9-10-23-19(24)16-3-1-2-4-17(16)20(23)25/h1-8,18H,9-13H2/t18-/m1/s1
InChIKeyHWHAFLISNBWSHL-GOSISDBHSA-N
XLogP2.50
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.38
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]ethyl]isoindole-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-[2-(4-fluorophenyl)morpholin-4-yl]ethyl]-1H-imidazol-2-one
CID 91843706
2-[[2-(4-fluorophenyl)morpholin-4-yl]methyl]phenol
CID 154795509
(2S)-4-[3-(4-fluorophenyl)sulfonylpropyl]-2-phenylmorpholine
CID 95048529
1-(4-fluorophenyl)-4-(2-phenylmorpholin-4-yl)butan-1-one
CID 2893561
N-(2-fluorophenyl)-3-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]propanamide
CID 30891589
N-(2-fluorophenyl)-3-[2-(4-fluorophenyl)morpholin-4-yl]propanamide
CID 43065711
3-[2-(4-fluorophenyl)morpholin-4-yl]-1-piperazin-1-ylpropan-1-one
CID 120980907
3-[[2-(4-fluorophenyl)morpholin-4-yl]methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 55565593
1-(4-fluorophenyl)-N-[3-(2-phenylmorpholin-4-yl)propyl]methanesulfonamide
CID 16892839
(2R)-2-(4-fluorophenyl)-4-methylmorpholine
CID 67355003
3-[2-(4-fluorophenyl)morpholin-4-yl]-N-(2-methoxyphenyl)propanamide
CID 43065717
1-[[2-(4-fluorophenyl)morpholin-4-yl]methyl]cyclohexan-1-ol
CID 111104469

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]ethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]ethyl]isoindole-1,3-dione (CID 36737030) is 2-[2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]ethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]ethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]ethyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1CCN1CCO[C@@H](c2ccc(F)cc2)C1.
What is the InChIKey of 2-[2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]ethyl]isoindole-1,3-dione?
The InChIKey is HWHAFLISNBWSHL-GOSISDBHSA-N. The full InChI is InChI=1S/C20H19FN2O3/c21-15-7-5-14(6-8-15)18-13-22(11-12-26-18)9-10-23-19(24)16-3-1-2-4-17(16)20(23)25/h1-8,18H,9-13H2/t18-/m1/s1.
What are the key properties of 2-[2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]ethyl]isoindole-1,3-dione?
2-[2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]ethyl]isoindole-1,3-dione has a molecular weight of 354.38 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]ethyl]isoindole-1,3-dione is sourced from PubChem (CID 36737030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).