2-[(2-fluoro-3-methoxyphenyl)methyl]isoindole-1,3-dione

C16H12FNO3 — CID 59479327

IUPAC2-[(2-fluoro-3-methoxyphenyl)methyl]isoindole-1,3-dione
SMILESCOc1cccc(CN2C(=O)c3ccccc3C2=O)c1F
InChIInChI=1S/C16H12FNO3/c1-21-13-8-4-5-10(14(13)17)9-18-15(19)11-6-2-3-7-12(11)16(18)20/h2-8H,9H2,1H3
InChIKeyIMVSFRAHOTUJBN-UHFFFAOYSA-N
MW285.27 g/mol
LogP2.63
Rot. Bonds3

About 2-[(2-fluoro-3-methoxyphenyl)methyl]isoindole-1,3-dione

2-[(2-fluoro-3-methoxyphenyl)methyl]isoindole-1,3-dione (PubChem CID 59479327) has the molecular formula C16H12FNO3 and a molecular weight of 285.27 g/mol. Its IUPAC name is 2-[(2-fluoro-3-methoxyphenyl)methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(2-fluoro-3-methoxyphenyl)methyl]isoindole-1,3-dione
PubChem CID59479327
Molecular FormulaC16H12FNO3
Molecular Weight285.27 g/mol
Exact Mass285.08
IUPAC Name2-[(2-fluoro-3-methoxyphenyl)methyl]isoindole-1,3-dione
SMILESCOc1cccc(CN2C(=O)c3ccccc3C2=O)c1F
InChIInChI=1S/C16H12FNO3/c1-21-13-8-4-5-10(14(13)17)9-18-15(19)11-6-2-3-7-12(11)16(18)20/h2-8H,9H2,1H3
InChIKeyIMVSFRAHOTUJBN-UHFFFAOYSA-N
XLogP2.63
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-amino-2-fluorophenyl)methyl]isoindole-1,3-dione
CID 107347604
1,4-bis(bromomethyl)-2,5-dimethoxybenzene;2-[[4-(bromomethyl)-2,5-dimethoxyphenyl]methyl]isoindole-1,3-dione
CID 160888133
2-[(2-bromo-3,4-dimethoxyphenyl)methyl]isoindole-1,3-dione
CID 47061601
2-[[2-[2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenyl]phenyl]methyl]isoindole-1,3-dione
CID 139959099
1-[(2-fluoro-3-methoxyphenyl)methyl]-3-methylpiperazine-2,6-dione
CID 104794567
1-[(2-fluoro-3-methoxyphenyl)methyl]azetidin-3-amine
CID 104792857
2-[[2-bromo-5-(hydroxymethyl)-4-methoxyphenyl]methyl]isoindole-1,3-dione
CID 58245694
2-[2-[3-[(2-methoxyphenyl)methoxy]phenoxy]ethyl]isoindole-1,3-dione
CID 67316681
(3S,4R)-1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrolidine-3,4-diol
CID 104794531
4,5-dimethoxy-2-(naphthalen-1-ylmethyl)isoindole-1,3-dione
CID 25196701
2-fluoro-1-methoxy-3-(methoxymethyl)benzene
CID 70661160
2-[2-(1,3-dioxoisoindol-2-yl)ethyl]-5-[4-(2-fluoro-3-methoxyphenyl)phenyl]-3-hydroxypentanoic acid
CID 11854669

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluoro-3-methoxyphenyl)methyl]isoindole-1,3-dione?
The IUPAC name of 2-[(2-fluoro-3-methoxyphenyl)methyl]isoindole-1,3-dione (CID 59479327) is 2-[(2-fluoro-3-methoxyphenyl)methyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[(2-fluoro-3-methoxyphenyl)methyl]isoindole-1,3-dione?
The canonical SMILES for 2-[(2-fluoro-3-methoxyphenyl)methyl]isoindole-1,3-dione is COc1cccc(CN2C(=O)c3ccccc3C2=O)c1F.
What is the InChIKey of 2-[(2-fluoro-3-methoxyphenyl)methyl]isoindole-1,3-dione?
The InChIKey is IMVSFRAHOTUJBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FNO3/c1-21-13-8-4-5-10(14(13)17)9-18-15(19)11-6-2-3-7-12(11)16(18)20/h2-8H,9H2,1H3.
What are the key properties of 2-[(2-fluoro-3-methoxyphenyl)methyl]isoindole-1,3-dione?
2-[(2-fluoro-3-methoxyphenyl)methyl]isoindole-1,3-dione has a molecular weight of 285.27 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluoro-3-methoxyphenyl)methyl]isoindole-1,3-dione is sourced from PubChem (CID 59479327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).