2-[(E)-2-fluoro-5-(3-methoxyphenyl)pent-2-enyl]isoindole-1,3-dione

C20H18FNO3 — CID 66983318

IUPAC2-[(E)-2-fluoro-5-(3-methoxyphenyl)pent-2-enyl]isoindole-1,3-dione
SMILESCOc1cccc(CC/C=C(/F)CN2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C20H18FNO3/c1-25-16-9-5-7-14(12-16)6-4-8-15(21)13-22-19(23)17-10-2-3-11-18(17)20(22)24/h2-3,5,7-12H,4,6,13H2,1H3/b15-8+
InChIKeyBIWJWXCDEJGXBA-OVCLIPMQSA-N
MW339.37 g/mol
LogP3.78
Rot. Bonds6

About 2-[(E)-2-fluoro-5-(3-methoxyphenyl)pent-2-enyl]isoindole-1,3-dione

2-[(E)-2-fluoro-5-(3-methoxyphenyl)pent-2-enyl]isoindole-1,3-dione (PubChem CID 66983318) has the molecular formula C20H18FNO3 and a molecular weight of 339.37 g/mol. Its IUPAC name is 2-[(E)-2-fluoro-5-(3-methoxyphenyl)pent-2-enyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(E)-2-fluoro-5-(3-methoxyphenyl)pent-2-enyl]isoindole-1,3-dione
PubChem CID66983318
Molecular FormulaC20H18FNO3
Molecular Weight339.37 g/mol
Exact Mass339.13
IUPAC Name2-[(E)-2-fluoro-5-(3-methoxyphenyl)pent-2-enyl]isoindole-1,3-dione
SMILESCOc1cccc(CC/C=C(/F)CN2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C20H18FNO3/c1-25-16-9-5-7-14(12-16)6-4-8-15(21)13-22-19(23)17-10-2-3-11-18(17)20(22)24/h2-3,5,7-12H,4,6,13H2,1H3/b15-8+
InChIKeyBIWJWXCDEJGXBA-OVCLIPMQSA-N
XLogP3.78
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 53.78
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-fluoro-5-(3-methoxyphenyl)pent-2-en-1-amine;hydrochloride
CID 66983281
2-[4-(3-methoxyphenyl)butan-2-yl]isoindole-1,3-dione
CID 67696129
2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 113201840
1-[(3E)-4,8-dimethylnona-3,7-dienyl]-3-methoxybenzene
CID 68508341
2-(1,3-dioxoisoindol-2-yl)-N-[(E)-(3-methoxyphenyl)methylideneamino]acetamide
CID 73347713
[2-(3-methoxyanilino)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate
CID 2554588
2-(1-hydroxy-3-oxo-1H-isoindol-2-yl)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 166807912
4-amino-2-[(3-methoxyphenyl)methyl]isoindole-1,3-dione
CID 850937
1-methoxy-3-(5-methylhex-4-enyl)benzene
CID 143093894
[(2R)-1-(3-methoxyanilino)-1-oxopropan-2-yl] 2-(1,3-dioxoisoindol-2-yl)acetate
CID 7951292
N-[2-chloro-1-(3-methoxyphenyl)ethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 175143603
2-[2-(3-methoxy-N-methylanilino)ethyl]isoindole-1,3-dione
CID 131850985

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-fluoro-5-(3-methoxyphenyl)pent-2-enyl]isoindole-1,3-dione?
The IUPAC name of 2-[(E)-2-fluoro-5-(3-methoxyphenyl)pent-2-enyl]isoindole-1,3-dione (CID 66983318) is 2-[(E)-2-fluoro-5-(3-methoxyphenyl)pent-2-enyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[(E)-2-fluoro-5-(3-methoxyphenyl)pent-2-enyl]isoindole-1,3-dione?
The canonical SMILES for 2-[(E)-2-fluoro-5-(3-methoxyphenyl)pent-2-enyl]isoindole-1,3-dione is COc1cccc(CC/C=C(/F)CN2C(=O)c3ccccc3C2=O)c1.
What is the InChIKey of 2-[(E)-2-fluoro-5-(3-methoxyphenyl)pent-2-enyl]isoindole-1,3-dione?
The InChIKey is BIWJWXCDEJGXBA-OVCLIPMQSA-N. The full InChI is InChI=1S/C20H18FNO3/c1-25-16-9-5-7-14(12-16)6-4-8-15(21)13-22-19(23)17-10-2-3-11-18(17)20(22)24/h2-3,5,7-12H,4,6,13H2,1H3/b15-8+.
What are the key properties of 2-[(E)-2-fluoro-5-(3-methoxyphenyl)pent-2-enyl]isoindole-1,3-dione?
2-[(E)-2-fluoro-5-(3-methoxyphenyl)pent-2-enyl]isoindole-1,3-dione has a molecular weight of 339.37 g/mol, XLogP of 3.78, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-fluoro-5-(3-methoxyphenyl)pent-2-enyl]isoindole-1,3-dione is sourced from PubChem (CID 66983318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).