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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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).