5-(4-aminophenoxy)isoindole-1,3-dione

C14H10N2O3 — CID 882627

IUPAC5-(4-aminophenoxy)isoindole-1,3-dione
SMILESNc1ccc(Oc2ccc3c(c2)C(=O)NC3=O)cc1
InChIInChI=1S/C14H10N2O3/c15-8-1-3-9(4-2-8)19-10-5-6-11-12(7-10)14(18)16-13(11)17/h1-7H,15H2,(H,16,17,18)
InChIKeyNTQCONSUJVLCLR-UHFFFAOYSA-N
MW254.25 g/mol
LogP1.94
Rot. Bonds2

About 5-(4-aminophenoxy)isoindole-1,3-dione

5-(4-aminophenoxy)isoindole-1,3-dione (PubChem CID 882627) has the molecular formula C14H10N2O3 and a molecular weight of 254.25 g/mol. Its IUPAC name is 5-(4-aminophenoxy)isoindole-1,3-dione.

Molecular Properties

Compound Name5-(4-aminophenoxy)isoindole-1,3-dione
PubChem CID882627
Molecular FormulaC14H10N2O3
Molecular Weight254.25 g/mol
Exact Mass254.07
IUPAC Name5-(4-aminophenoxy)isoindole-1,3-dione
SMILESNc1ccc(Oc2ccc3c(c2)C(=O)NC3=O)cc1
InChIInChI=1S/C14H10N2O3/c15-8-1-3-9(4-2-8)19-10-5-6-11-12(7-10)14(18)16-13(11)17/h1-7H,15H2,(H,16,17,18)
InChIKeyNTQCONSUJVLCLR-UHFFFAOYSA-N
XLogP1.94
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-(4-Methoxyphenyl)-1H-isoindole-1,3(2H)-dione
CID 250687
Amphotalide
CID 71806
5-(benzyloxy)-1H-isoindole-1,3(2H)-dione
CID 10682287
5-Benzyloxyisatin
CID 16792980
2-[4-(dimethylamino)phenyl]-5-(2-fluoroethoxy)-3H-isoindol-1-one
CID 25242570
5-(2-Fluoroethoxy)-2-[4-(methylamino)phenyl]isoindole-1,3-dione
CID 25266309
2-[4-(Dimethylamino)phenyl]-5-(2-fluoroethoxy)isoindole-1,3-dione
CID 25266310
2-(4-Aminophenyl)-5-(3-fluoropropoxy)isoindole-1,3-dione
CID 25266311
5-(3-Fluoropropoxy)-2-[4-(methylamino)phenyl]isoindole-1,3-dione
CID 25266312
5-(2-fluoroethoxy)-2-[4-(methylamino)phenyl]-3H-isoindol-1-one
CID 25266341
2-(4-aminophenyl)-5-(2-fluoroethoxy)-3H-isoindol-1-one
CID 25267381
2-(4-aminophenyl)-5-(3-fluoropropoxy)-3H-isoindol-1-one
CID 25267382

Frequently Asked Questions

What is the IUPAC name of 5-(4-aminophenoxy)isoindole-1,3-dione?
The IUPAC name of 5-(4-aminophenoxy)isoindole-1,3-dione (CID 882627) is 5-(4-aminophenoxy)isoindole-1,3-dione.
What is the SMILES notation for 5-(4-aminophenoxy)isoindole-1,3-dione?
The canonical SMILES for 5-(4-aminophenoxy)isoindole-1,3-dione is Nc1ccc(Oc2ccc3c(c2)C(=O)NC3=O)cc1.
What is the InChIKey of 5-(4-aminophenoxy)isoindole-1,3-dione?
The InChIKey is NTQCONSUJVLCLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O3/c15-8-1-3-9(4-2-8)19-10-5-6-11-12(7-10)14(18)16-13(11)17/h1-7H,15H2,(H,16,17,18).
What are the key properties of 5-(4-aminophenoxy)isoindole-1,3-dione?
5-(4-aminophenoxy)isoindole-1,3-dione has a molecular weight of 254.25 g/mol, XLogP of 1.94, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-aminophenoxy)isoindole-1,3-dione is sourced from PubChem (CID 882627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).