5-(3-aminophenoxy)-2-(3-chlorophenyl)isoindole-1,3-dione

C20H13ClN2O3 — CID 2230936

IUPAC5-(3-aminophenoxy)-2-(3-chlorophenyl)isoindole-1,3-dione
SMILESNc1cccc(Oc2ccc3c(c2)C(=O)N(c2cccc(Cl)c2)C3=O)c1
InChIInChI=1S/C20H13ClN2O3/c21-12-3-1-5-14(9-12)23-19(24)17-8-7-16(11-18(17)20(23)25)26-15-6-2-4-13(22)10-15/h1-11H,22H2
InChIKeyDQCWEMUWFKWEDF-UHFFFAOYSA-N
MW364.79 g/mol
LogP4.52
Rot. Bonds3

About 5-(3-aminophenoxy)-2-(3-chlorophenyl)isoindole-1,3-dione

5-(3-aminophenoxy)-2-(3-chlorophenyl)isoindole-1,3-dione (PubChem CID 2230936) has the molecular formula C20H13ClN2O3 and a molecular weight of 364.79 g/mol. Its IUPAC name is 5-(3-aminophenoxy)-2-(3-chlorophenyl)isoindole-1,3-dione.

Molecular Properties

Compound Name5-(3-aminophenoxy)-2-(3-chlorophenyl)isoindole-1,3-dione
PubChem CID2230936
Molecular FormulaC20H13ClN2O3
Molecular Weight364.79 g/mol
Exact Mass364.06
IUPAC Name5-(3-aminophenoxy)-2-(3-chlorophenyl)isoindole-1,3-dione
SMILESNc1cccc(Oc2ccc3c(c2)C(=O)N(c2cccc(Cl)c2)C3=O)c1
InChIInChI=1S/C20H13ClN2O3/c21-12-3-1-5-14(9-12)23-19(24)17-8-7-16(11-18(17)20(23)25)26-15-6-2-4-13(22)10-15/h1-11H,22H2
InChIKeyDQCWEMUWFKWEDF-UHFFFAOYSA-N
XLogP4.52
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.79
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(3-aminophenoxy)-2-naphthalen-2-ylisoindole-1,3-dione
CID 23739421
2-(3-hydroxyphenyl)-5-[3-[2-(3-hydroxyphenyl)-1,3-dioxoisoindol-5-yl]oxyphenoxy]isoindole-1,3-dione
CID 17386922
5-(4-chlorophenoxy)-2-(3-nitrophenyl)isoindole-1,3-dione
CID 1296002
2-(3-phenoxyphenyl)isoindole-1,3-dione
CID 3091542
2-[5-(3-aminophenoxy)-1,3-dioxoisoindol-2-yl]acetate
CID 8545542
2-[4-[4-amino-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-5-[2-[4-[4-[5-[2-[4-[4-amino-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindol-5-yl]oxy-1,3-dioxoisoindol-2-yl]-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione
CID 163893749
5-(3,5-dimethylphenoxy)-2-phenylisoindole-1,3-dione
CID 925737
5-methyl-2-[3-[3-(3-methylphenoxy)phenoxy]phenyl]isoindole-1,3-dione
CID 90304687
2-[3-(1,3-dioxo-2-phenylisoindol-5-yl)oxyphenyl]-5-nitroisoindole-1,3-dione
CID 1132321
(1R,2S,6R,7S)-4-[3-(1,3-dioxo-2-phenylisoindol-5-yl)oxyphenyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 7098765
3-amino-N-[2-[4-(4-chlorophenoxy)phenyl]-1,3-dioxoisoindol-5-yl]benzamide
CID 23908930
5-hydroxy-2-[3-[4-(4-hydroxyphenyl)sulfonylphenoxy]phenyl]isoindole-1,3-dione
CID 67886506

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminophenoxy)-2-(3-chlorophenyl)isoindole-1,3-dione?
The IUPAC name of 5-(3-aminophenoxy)-2-(3-chlorophenyl)isoindole-1,3-dione (CID 2230936) is 5-(3-aminophenoxy)-2-(3-chlorophenyl)isoindole-1,3-dione.
What is the SMILES notation for 5-(3-aminophenoxy)-2-(3-chlorophenyl)isoindole-1,3-dione?
The canonical SMILES for 5-(3-aminophenoxy)-2-(3-chlorophenyl)isoindole-1,3-dione is Nc1cccc(Oc2ccc3c(c2)C(=O)N(c2cccc(Cl)c2)C3=O)c1.
What is the InChIKey of 5-(3-aminophenoxy)-2-(3-chlorophenyl)isoindole-1,3-dione?
The InChIKey is DQCWEMUWFKWEDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClN2O3/c21-12-3-1-5-14(9-12)23-19(24)17-8-7-16(11-18(17)20(23)25)26-15-6-2-4-13(22)10-15/h1-11H,22H2.
What are the key properties of 5-(3-aminophenoxy)-2-(3-chlorophenyl)isoindole-1,3-dione?
5-(3-aminophenoxy)-2-(3-chlorophenyl)isoindole-1,3-dione has a molecular weight of 364.79 g/mol, XLogP of 4.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminophenoxy)-2-(3-chlorophenyl)isoindole-1,3-dione is sourced from PubChem (CID 2230936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).