2-[(3-amino-2-fluorophenyl)methyl]isoindole-1,3-dione

C15H11FN2O2 — CID 107347604

IUPAC2-[(3-amino-2-fluorophenyl)methyl]isoindole-1,3-dione
SMILESNc1cccc(CN2C(=O)c3ccccc3C2=O)c1F
InChIInChI=1S/C15H11FN2O2/c16-13-9(4-3-7-12(13)17)8-18-14(19)10-5-1-2-6-11(10)15(18)20/h1-7H,8,17H2
InChIKeyHFMHPNUAUGHAKB-UHFFFAOYSA-N
MW270.26 g/mol
LogP2.20
Rot. Bonds2

About 2-[(3-amino-2-fluorophenyl)methyl]isoindole-1,3-dione

2-[(3-amino-2-fluorophenyl)methyl]isoindole-1,3-dione (PubChem CID 107347604) has the molecular formula C15H11FN2O2 and a molecular weight of 270.26 g/mol. Its IUPAC name is 2-[(3-amino-2-fluorophenyl)methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(3-amino-2-fluorophenyl)methyl]isoindole-1,3-dione
PubChem CID107347604
Molecular FormulaC15H11FN2O2
Molecular Weight270.26 g/mol
Exact Mass270.08
IUPAC Name2-[(3-amino-2-fluorophenyl)methyl]isoindole-1,3-dione
SMILESNc1cccc(CN2C(=O)c3ccccc3C2=O)c1F
InChIInChI=1S/C15H11FN2O2/c16-13-9(4-3-7-12(13)17)8-18-14(19)10-5-1-2-6-11(10)15(18)20/h1-7H,8,17H2
InChIKeyHFMHPNUAUGHAKB-UHFFFAOYSA-N
XLogP2.20
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.26
LogP ≤ 52.20
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

2-[(3-amino-2-fluorophenyl)methyl]-5-bromoisoindole-1,3-dione
CID 107347785
2-[(2-fluoro-3-methoxyphenyl)methyl]isoindole-1,3-dione
CID 59479327
1-[(3-amino-2-fluorophenyl)methyl]-3,3-dimethylpyrrolidine-2,5-dione
CID 107347713
4-amino-2-[(4-fluoro-2-methylphenyl)methyl]isoindole-1,3-dione
CID 62135589
1-[(3-amino-2-fluorophenyl)methyl]-6-methylpyridin-2-one
CID 107347649
2-[(2,3,5,6-tetrafluorophenyl)methyl]isoindole-1,3-dione
CID 126720986
2-[(3-chloro-2-methylphenyl)methyl]isoindole-1,3-dione
CID 59323393
2-[(4-fluorophenyl)methyl]isoindole-1,3-dione
CID 2774444
2-[[5-[(1,3-dioxoisoindol-2-yl)methyl]-2,4-dimethylphenyl]methyl]isoindole-1,3-dione
CID 5094148
3-[(3-amino-2-fluorophenyl)methyl]-1,3-oxazolidin-2-one
CID 107347624
2-[(2-ethynylphenyl)methyl]isoindole-1,3-dione
CID 90051753
2-[[2-(anilinomethyl)phenyl]methyl]isoindole-1,3-dione
CID 139959211

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-2-fluorophenyl)methyl]isoindole-1,3-dione?
The IUPAC name of 2-[(3-amino-2-fluorophenyl)methyl]isoindole-1,3-dione (CID 107347604) is 2-[(3-amino-2-fluorophenyl)methyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[(3-amino-2-fluorophenyl)methyl]isoindole-1,3-dione?
The canonical SMILES for 2-[(3-amino-2-fluorophenyl)methyl]isoindole-1,3-dione is Nc1cccc(CN2C(=O)c3ccccc3C2=O)c1F.
What is the InChIKey of 2-[(3-amino-2-fluorophenyl)methyl]isoindole-1,3-dione?
The InChIKey is HFMHPNUAUGHAKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O2/c16-13-9(4-3-7-12(13)17)8-18-14(19)10-5-1-2-6-11(10)15(18)20/h1-7H,8,17H2.
What are the key properties of 2-[(3-amino-2-fluorophenyl)methyl]isoindole-1,3-dione?
2-[(3-amino-2-fluorophenyl)methyl]isoindole-1,3-dione has a molecular weight of 270.26 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-2-fluorophenyl)methyl]isoindole-1,3-dione is sourced from PubChem (CID 107347604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).