2-(3-amino-4-ethylphenyl)isoindole-1,3-dione

C16H14N2O2 — CID 60921292

IUPAC2-(3-amino-4-ethylphenyl)isoindole-1,3-dione
SMILESCCc1ccc(N2C(=O)c3ccccc3C2=O)cc1N
InChIInChI=1S/C16H14N2O2/c1-2-10-7-8-11(9-14(10)17)18-15(19)12-5-3-4-6-13(12)16(18)20/h3-9H,2,17H2,1H3
InChIKeyHERZDSALRBGODX-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.63
Rot. Bonds2

About 2-(3-amino-4-ethylphenyl)isoindole-1,3-dione

2-(3-amino-4-ethylphenyl)isoindole-1,3-dione (PubChem CID 60921292) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-(3-amino-4-ethylphenyl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(3-amino-4-ethylphenyl)isoindole-1,3-dione
PubChem CID60921292
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name2-(3-amino-4-ethylphenyl)isoindole-1,3-dione
SMILESCCc1ccc(N2C(=O)c3ccccc3C2=O)cc1N
InChIInChI=1S/C16H14N2O2/c1-2-10-7-8-11(9-14(10)17)18-15(19)12-5-3-4-6-13(12)16(18)20/h3-9H,2,17H2,1H3
InChIKeyHERZDSALRBGODX-UHFFFAOYSA-N
XLogP2.63
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-Phenylphthalimide
CID 68215
2-(2-Methylphenyl)-1H-isoindole-1,3(2H)-dione
CID 94776
(3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-1H-indol-2-one
CID 6450842
N-1-Naphthylphthalimide
CID 79252
2,6-Dimethylphenylphthalimide
CID 73324
2-(1,3-Dioxo-1,3-dihydro-isoindol-2-YL)-N-P-tolyl-acetamide
CID 344672
3-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-N-o-tolyl-propionamide
CID 721309
4-amino-2-methyl-2,3-dihydro-1H-isoindole-1,3-dione
CID 600596
5-amino-2-methyl-2,3-dihydro-1H-isoindole-1,3-dione
CID 726931
SF-51
CID 1219451
2-[4-(dimethylamino)phenyl]-1H-isoindole-1,3(2H)-dione
CID 748674
3-Benzylideneindolin-2-one
CID 1551501

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-4-ethylphenyl)isoindole-1,3-dione?
The IUPAC name of 2-(3-amino-4-ethylphenyl)isoindole-1,3-dione (CID 60921292) is 2-(3-amino-4-ethylphenyl)isoindole-1,3-dione.
What is the SMILES notation for 2-(3-amino-4-ethylphenyl)isoindole-1,3-dione?
The canonical SMILES for 2-(3-amino-4-ethylphenyl)isoindole-1,3-dione is CCc1ccc(N2C(=O)c3ccccc3C2=O)cc1N.
What is the InChIKey of 2-(3-amino-4-ethylphenyl)isoindole-1,3-dione?
The InChIKey is HERZDSALRBGODX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-2-10-7-8-11(9-14(10)17)18-15(19)12-5-3-4-6-13(12)16(18)20/h3-9H,2,17H2,1H3.
What are the key properties of 2-(3-amino-4-ethylphenyl)isoindole-1,3-dione?
2-(3-amino-4-ethylphenyl)isoindole-1,3-dione has a molecular weight of 266.30 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-4-ethylphenyl)isoindole-1,3-dione is sourced from PubChem (CID 60921292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).