2-[2-(2-phenylanilino)ethyl]isoindole-1,3-dione

C22H18N2O2 — CID 23827824

IUPAC2-[2-(2-phenylanilino)ethyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCNc1ccccc1-c1ccccc1
InChIInChI=1S/C22H18N2O2/c25-21-18-11-4-5-12-19(18)22(26)24(21)15-14-23-20-13-7-6-10-17(20)16-8-2-1-3-9-16/h1-13,23H,14-15H2
InChIKeyBLDWRIAYSPURIS-UHFFFAOYSA-N
MW342.40 g/mol
LogP4.06
Rot. Bonds5

About 2-[2-(2-phenylanilino)ethyl]isoindole-1,3-dione

2-[2-(2-phenylanilino)ethyl]isoindole-1,3-dione (PubChem CID 23827824) has the molecular formula C22H18N2O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is 2-[2-(2-phenylanilino)ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-(2-phenylanilino)ethyl]isoindole-1,3-dione
PubChem CID23827824
Molecular FormulaC22H18N2O2
Molecular Weight342.40 g/mol
Exact Mass342.14
IUPAC Name2-[2-(2-phenylanilino)ethyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCNc1ccccc1-c1ccccc1
InChIInChI=1S/C22H18N2O2/c25-21-18-11-4-5-12-19(18)22(26)24(21)15-14-23-20-13-7-6-10-17(20)16-8-2-1-3-9-16/h1-13,23H,14-15H2
InChIKeyBLDWRIAYSPURIS-UHFFFAOYSA-N
XLogP4.06
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-aminoanilino)ethyl]isoindole-1,3-dione
CID 54544953
2-phenyl-N-(2-pyrrolidin-1-ylethyl)aniline
CID 107911336
2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)ethylamino]ethylamino]ethyl]isoindole-1,3-dione
CID 3090844
2-[2-(2-hydroxyethylamino)ethyl]isoindole-1,3-dione
CID 39733476
2-[4-(1,3-dioxoisoindol-2-yl)(1,4-13C2)butyl]isoindole-1,3-dione
CID 10784038
N-(2-methoxyethyl)-2-phenylaniline
CID 28569408
(2S)-2-[2-(1,3-dioxoisoindol-2-yl)ethylamino]-3,3-dimethylbutanoic acid
CID 68771693
2-[3-[10-[3-(1,3-dioxoisoindol-2-yl)propylamino]decylamino]propyl]isoindole-1,3-dione
CID 46192998
[1-[8-(1,3-dioxoisoindol-2-yl)octyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
CID 59838143
2-[(4-phenylphenyl)methyl]isoindole-1,3-dione
CID 7663732
methyl 2-[2-(1,3-dioxoisoindol-2-yl)ethylcarbamoylamino]benzoate
CID 108874874
2-[2-(1,3-dihydro-2-benzofuran-5-ylamino)ethyl]isoindole-1,3-dione
CID 86793063

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-phenylanilino)ethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-(2-phenylanilino)ethyl]isoindole-1,3-dione (CID 23827824) is 2-[2-(2-phenylanilino)ethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-(2-phenylanilino)ethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-(2-phenylanilino)ethyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1CCNc1ccccc1-c1ccccc1.
What is the InChIKey of 2-[2-(2-phenylanilino)ethyl]isoindole-1,3-dione?
The InChIKey is BLDWRIAYSPURIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O2/c25-21-18-11-4-5-12-19(18)22(26)24(21)15-14-23-20-13-7-6-10-17(20)16-8-2-1-3-9-16/h1-13,23H,14-15H2.
What are the key properties of 2-[2-(2-phenylanilino)ethyl]isoindole-1,3-dione?
2-[2-(2-phenylanilino)ethyl]isoindole-1,3-dione has a molecular weight of 342.40 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-phenylanilino)ethyl]isoindole-1,3-dione is sourced from PubChem (CID 23827824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).