2-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]isoindole-1,3-dione

C16H11FN2O3 — CID 8973003

IUPAC2-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]isoindole-1,3-dione
SMILESCOc1ccc(/C=N\N2C(=O)c3ccccc3C2=O)cc1F
InChIInChI=1S/C16H11FN2O3/c1-22-14-7-6-10(8-13(14)17)9-18-19-15(20)11-4-2-3-5-12(11)16(19)21/h2-9H,1H3/b18-9-
InChIKeyKAXUEJCAOFAHIF-NVMNQCDNSA-N
MW298.27 g/mol
LogP2.46
Rot. Bonds3

About 2-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]isoindole-1,3-dione

2-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]isoindole-1,3-dione (PubChem CID 8973003) has the molecular formula C16H11FN2O3 and a molecular weight of 298.27 g/mol. Its IUPAC name is 2-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]isoindole-1,3-dione
PubChem CID8973003
Molecular FormulaC16H11FN2O3
Molecular Weight298.27 g/mol
Exact Mass298.08
IUPAC Name2-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]isoindole-1,3-dione
SMILESCOc1ccc(/C=N\N2C(=O)c3ccccc3C2=O)cc1F
InChIInChI=1S/C16H11FN2O3/c1-22-14-7-6-10(8-13(14)17)9-18-19-15(20)11-4-2-3-5-12(11)16(19)21/h2-9H,1H3/b18-9-
InChIKeyKAXUEJCAOFAHIF-NVMNQCDNSA-N
XLogP2.46
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.27
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-[[4-[(1,3-dioxoisoindol-2-yl)iminomethyl]phenyl]methylideneamino]isoindole-1,3-dione
CID 1098364
2-[(Z)-[4-[(Z)-(1,3-dioxoisoindol-2-yl)iminomethyl]phenyl]methylideneamino]isoindole-1,3-dione
CID 5440307
[4-[(Z)-(1,3-dioxoisoindol-2-yl)iminomethyl]-2-methoxyphenyl] cyclopropanecarboxylate
CID 9072432
2-[(Z)-(2-methoxyphenyl)methylideneamino]isoindole-1,3-dione
CID 6298578
2-[(Z)-[3-ethoxy-4-(2-methylpropoxy)phenyl]methylideneamino]isoindole-1,3-dione
CID 9072178
2-[(E)-(2,4-dimethoxyphenyl)methylideneamino]isoindole-1,3-dione
CID 6861399
[4-[(Z)-(1,3-dioxobenzo[de]isoquinolin-2-yl)iminomethyl]-2-methoxyphenyl] acetate
CID 8979943
2-[(E)-(4-methylsulfanylphenyl)methylideneamino]isoindole-1,3-dione
CID 6897377
2-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]isoindole-1,3-dione
CID 5404063
2-[(E)-(4-phenylphenyl)methylideneamino]isoindole-1,3-dione
CID 6909855
N-[(3-fluoro-4-methoxyphenyl)methylidene]hydroxylamine
CID 74061800
2-[3-(3-fluoro-4-methoxyphenyl)phenyl]isoindole-1,3-dione
CID 168519023

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]isoindole-1,3-dione?
The IUPAC name of 2-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]isoindole-1,3-dione (CID 8973003) is 2-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]isoindole-1,3-dione.
What is the SMILES notation for 2-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]isoindole-1,3-dione?
The canonical SMILES for 2-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]isoindole-1,3-dione is COc1ccc(/C=N\N2C(=O)c3ccccc3C2=O)cc1F.
What is the InChIKey of 2-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]isoindole-1,3-dione?
The InChIKey is KAXUEJCAOFAHIF-NVMNQCDNSA-N. The full InChI is InChI=1S/C16H11FN2O3/c1-22-14-7-6-10(8-13(14)17)9-18-19-15(20)11-4-2-3-5-12(11)16(19)21/h2-9H,1H3/b18-9-.
What are the key properties of 2-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]isoindole-1,3-dione?
2-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]isoindole-1,3-dione has a molecular weight of 298.27 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]isoindole-1,3-dione is sourced from PubChem (CID 8973003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).