5-amino-2-(2-fluorophenyl)isoindole-1,3-dione

C14H9FN2O2 — CID 28773180

IUPAC5-amino-2-(2-fluorophenyl)isoindole-1,3-dione
SMILESNc1ccc2c(c1)C(=O)N(c1ccccc1F)C2=O
InChIInChI=1S/C14H9FN2O2/c15-11-3-1-2-4-12(11)17-13(18)9-6-5-8(16)7-10(9)14(17)19/h1-7H,16H2
InChIKeyDCYOGTCFTVRHKC-UHFFFAOYSA-N
MW256.24 g/mol
LogP2.21
Rot. Bonds1

About 5-amino-2-(2-fluorophenyl)isoindole-1,3-dione

5-amino-2-(2-fluorophenyl)isoindole-1,3-dione (PubChem CID 28773180) has the molecular formula C14H9FN2O2 and a molecular weight of 256.24 g/mol. Its IUPAC name is 5-amino-2-(2-fluorophenyl)isoindole-1,3-dione.

Molecular Properties

Compound Name5-amino-2-(2-fluorophenyl)isoindole-1,3-dione
PubChem CID28773180
Molecular FormulaC14H9FN2O2
Molecular Weight256.24 g/mol
Exact Mass256.06
IUPAC Name5-amino-2-(2-fluorophenyl)isoindole-1,3-dione
SMILESNc1ccc2c(c1)C(=O)N(c1ccccc1F)C2=O
InChIInChI=1S/C14H9FN2O2/c15-11-3-1-2-4-12(11)17-13(18)9-6-5-8(16)7-10(9)14(17)19/h1-7H,16H2
InChIKeyDCYOGTCFTVRHKC-UHFFFAOYSA-N
XLogP2.21
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.24
LogP ≤ 52.21
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

5-amino-2-(2,3,5-trifluorophenyl)isoindole-1,3-dione
CID 62813021
5-amino-2-(2-propan-2-ylphenyl)isoindole-1,3-dione
CID 11778411
2-(5-amino-2-fluorophenyl)-5-bromoisoindole-1,3-dione
CID 43167704
5-(4-aminophenyl)-2-[2-[2-[5-(4-aminophenyl)-1,3-dioxoisoindol-2-yl]phenyl]phenyl]isoindole-1,3-dione
CID 171043216
5-amino-2-(5-fluoro-2-methylphenyl)isoindole-1,3-dione
CID 28773130
5-amino-2-(5-bromo-4-fluoro-2-methylphenyl)isoindole-1,3-dione
CID 107592889
5-amino-2-(4-fluorophenyl)isoindole-1,3-dione
CID 28773111
5-amino-2-(5-amino-2-methoxyphenyl)isoindole-1,3-dione
CID 139787309
2-(4-amino-2-fluorophenyl)pyrrolo[3,4-c]pyridine-1,3-dione
CID 55204224
2-(3-fluoro-2-iodophenyl)isoindole-1,3-dione
CID 114259645
2-(4-amino-2,6-difluorophenyl)isoindole-1,3-dione
CID 58758353
5-amino-2-(2,6-dibromophenyl)isoindole-1,3-dione
CID 107600970

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(2-fluorophenyl)isoindole-1,3-dione?
The IUPAC name of 5-amino-2-(2-fluorophenyl)isoindole-1,3-dione (CID 28773180) is 5-amino-2-(2-fluorophenyl)isoindole-1,3-dione.
What is the SMILES notation for 5-amino-2-(2-fluorophenyl)isoindole-1,3-dione?
The canonical SMILES for 5-amino-2-(2-fluorophenyl)isoindole-1,3-dione is Nc1ccc2c(c1)C(=O)N(c1ccccc1F)C2=O.
What is the InChIKey of 5-amino-2-(2-fluorophenyl)isoindole-1,3-dione?
The InChIKey is DCYOGTCFTVRHKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN2O2/c15-11-3-1-2-4-12(11)17-13(18)9-6-5-8(16)7-10(9)14(17)19/h1-7H,16H2.
What are the key properties of 5-amino-2-(2-fluorophenyl)isoindole-1,3-dione?
5-amino-2-(2-fluorophenyl)isoindole-1,3-dione has a molecular weight of 256.24 g/mol, XLogP of 2.21, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(2-fluorophenyl)isoindole-1,3-dione is sourced from PubChem (CID 28773180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).