2-[1-(4-fluorophenoxy)indazol-3-yl]isoindole-1,3-dione

C21H12FN3O3 — CID 69277394

IUPAC2-[1-(4-fluorophenoxy)indazol-3-yl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1c1nn(Oc2ccc(F)cc2)c2ccccc12
InChIInChI=1S/C21H12FN3O3/c22-13-9-11-14(12-10-13)28-25-18-8-4-3-7-17(18)19(23-25)24-20(26)15-5-1-2-6-16(15)21(24)27/h1-12H
InChIKeyNEPFSKYNAUIWAI-UHFFFAOYSA-N
MW373.34 g/mol
LogP3.82
Rot. Bonds3

About 2-[1-(4-fluorophenoxy)indazol-3-yl]isoindole-1,3-dione

2-[1-(4-fluorophenoxy)indazol-3-yl]isoindole-1,3-dione (PubChem CID 69277394) has the molecular formula C21H12FN3O3 and a molecular weight of 373.34 g/mol. Its IUPAC name is 2-[1-(4-fluorophenoxy)indazol-3-yl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[1-(4-fluorophenoxy)indazol-3-yl]isoindole-1,3-dione
PubChem CID69277394
Molecular FormulaC21H12FN3O3
Molecular Weight373.34 g/mol
Exact Mass373.09
IUPAC Name2-[1-(4-fluorophenoxy)indazol-3-yl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1c1nn(Oc2ccc(F)cc2)c2ccccc12
InChIInChI=1S/C21H12FN3O3/c22-13-9-11-14(12-10-13)28-25-18-8-4-3-7-17(18)19(23-25)24-20(26)15-5-1-2-6-16(15)21(24)27/h1-12H
InChIKeyNEPFSKYNAUIWAI-UHFFFAOYSA-N
XLogP3.82
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.34
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[5-(4-fluorophenyl)-4-methyl-1H-pyrazol-3-yl]isoindole-1,3-dione
CID 134440531
2-[2-(4-fluorophenoxy)ethyl]isoindole-1,3-dione
CID 2230352
2-[4-chloro-3-(4-fluorophenyl)-1-methylpyrazol-5-yl]isoindole-1,3-dione
CID 142754077
2-[4-(4-fluorophenoxy)-2-(trifluoromethyl)phenyl]isoindole-1,3-dione
CID 168519994
2-[6-(1,3-dioxoisoindol-2-yl)-5-[(4-fluorophenyl)methyl]-2-pyridinyl]isoindole-1,3-dione
CID 110189010
2-[2-(4-methoxyphenyl)-1-methylindol-3-yl]isoindole-1,3-dione
CID 132607636
2-[3-[3-(1,3-dioxoisoindol-2-yl)-5-(trifluoromethyl)indazol-1-yl]propyl]isoindole-1,3-dione
CID 58990886
2-[4-[3-(1,3-dioxoisoindol-2-yl)-5-(trifluoromethyl)indazol-1-yl]butyl]isoindole-1,3-dione
CID 67487141
2-[(4-fluorophenyl)methyl]isoindole-1,3-dione
CID 2774444
(4-fluorophenyl) 2-(9-oxoacridin-10-yl)acetate
CID 16605438
2-[2-(N-methylanilino)oxyphenyl]isoindole-1,3-dione
CID 87452515
2-[3-(4-fluorophenyl)phenyl]isoindole-1,3-dione
CID 168517354

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-fluorophenoxy)indazol-3-yl]isoindole-1,3-dione?
The IUPAC name of 2-[1-(4-fluorophenoxy)indazol-3-yl]isoindole-1,3-dione (CID 69277394) is 2-[1-(4-fluorophenoxy)indazol-3-yl]isoindole-1,3-dione.
What is the SMILES notation for 2-[1-(4-fluorophenoxy)indazol-3-yl]isoindole-1,3-dione?
The canonical SMILES for 2-[1-(4-fluorophenoxy)indazol-3-yl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1c1nn(Oc2ccc(F)cc2)c2ccccc12.
What is the InChIKey of 2-[1-(4-fluorophenoxy)indazol-3-yl]isoindole-1,3-dione?
The InChIKey is NEPFSKYNAUIWAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12FN3O3/c22-13-9-11-14(12-10-13)28-25-18-8-4-3-7-17(18)19(23-25)24-20(26)15-5-1-2-6-16(15)21(24)27/h1-12H.
What are the key properties of 2-[1-(4-fluorophenoxy)indazol-3-yl]isoindole-1,3-dione?
2-[1-(4-fluorophenoxy)indazol-3-yl]isoindole-1,3-dione has a molecular weight of 373.34 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-fluorophenoxy)indazol-3-yl]isoindole-1,3-dione is sourced from PubChem (CID 69277394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).