2-(3-anilino-2-hydroxypropyl)isoindole-1,3-dione

C17H16N2O3 — CID 45158358

IUPAC2-(3-anilino-2-hydroxypropyl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CC(O)CNc1ccccc1
InChIInChI=1S/C17H16N2O3/c20-13(10-18-12-6-2-1-3-7-12)11-19-16(21)14-8-4-5-9-15(14)17(19)22/h1-9,13,18,20H,10-11H2
InChIKeyZVCKQOTVIFPWSZ-UHFFFAOYSA-N
MW296.33 g/mol
LogP1.76
Rot. Bonds5

About 2-(3-anilino-2-hydroxypropyl)isoindole-1,3-dione

2-(3-anilino-2-hydroxypropyl)isoindole-1,3-dione (PubChem CID 45158358) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is 2-(3-anilino-2-hydroxypropyl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(3-anilino-2-hydroxypropyl)isoindole-1,3-dione
PubChem CID45158358
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Name2-(3-anilino-2-hydroxypropyl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CC(O)CNc1ccccc1
InChIInChI=1S/C17H16N2O3/c20-13(10-18-12-6-2-1-3-7-12)11-19-16(21)14-8-4-5-9-15(14)17(19)22/h1-9,13,18,20H,10-11H2
InChIKeyZVCKQOTVIFPWSZ-UHFFFAOYSA-N
XLogP1.76
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(4-bromoanilino)-2-hydroxypropyl]isoindole-1,3-dione
CID 15944902
2-[(2R)-3-(4-fluoroanilino)-2-hydroxypropyl]isoindole-1,3-dione
CID 177164418
2-[2-hydroxy-3-(4-methoxyanilino)propyl]isoindole-1,3-dione
CID 171988818
2-[6-(1,3-dioxoisoindol-2-yl)-2,5-dihydroxyhexyl]isoindole-1,3-dione
CID 5232489
2-[[4-[(3-chloro-2-hydroxypropyl)amino]phenyl]methyl]isoindole-1,3-dione
CID 168638063
(2S)-3-(1,3-dioxoisoindol-2-yl)-2-hydroxypropanoic acid
CID 67719573
2-(2-hydroxypent-4-ynyl)isoindole-1,3-dione
CID 118917495
2-[(2R)-2-hydroxy-3-[4-(3-oxomorpholin-4-yl)anilino]propyl]isoindole-1,3-dione;2-[[(2S)-oxiran-2-yl]methyl]isoindole-1,3-dione;hydrofluoride
CID 161499223
2-[(2S)-3-[4-[(2R)-3-(1,3-dioxoisoindol-2-yl)-2-hydroxypropoxy]phenoxy]-2-hydroxypropyl]isoindole-1,3-dione
CID 1102637
2-(2-hydroxyhexyl)isoindole-1,3-dione
CID 67854445
2-[[2-(anilinomethyl)phenyl]methyl]isoindole-1,3-dione
CID 139959211
2-(3-carbazol-9-yl-2-hydroxypropyl)isoindole-1,3-dione
CID 2851792

Frequently Asked Questions

What is the IUPAC name of 2-(3-anilino-2-hydroxypropyl)isoindole-1,3-dione?
The IUPAC name of 2-(3-anilino-2-hydroxypropyl)isoindole-1,3-dione (CID 45158358) is 2-(3-anilino-2-hydroxypropyl)isoindole-1,3-dione.
What is the SMILES notation for 2-(3-anilino-2-hydroxypropyl)isoindole-1,3-dione?
The canonical SMILES for 2-(3-anilino-2-hydroxypropyl)isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1CC(O)CNc1ccccc1.
What is the InChIKey of 2-(3-anilino-2-hydroxypropyl)isoindole-1,3-dione?
The InChIKey is ZVCKQOTVIFPWSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c20-13(10-18-12-6-2-1-3-7-12)11-19-16(21)14-8-4-5-9-15(14)17(19)22/h1-9,13,18,20H,10-11H2.
What are the key properties of 2-(3-anilino-2-hydroxypropyl)isoindole-1,3-dione?
2-(3-anilino-2-hydroxypropyl)isoindole-1,3-dione has a molecular weight of 296.33 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-anilino-2-hydroxypropyl)isoindole-1,3-dione is sourced from PubChem (CID 45158358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).