3-(1,3-dioxoisoindol-2-yl)-N-(4-fluorophenyl)-N-methylpropanamide

C18H15FN2O3 — CID 94626265

IUPAC3-(1,3-dioxoisoindol-2-yl)-N-(4-fluorophenyl)-N-methylpropanamide
SMILESCN(C(=O)CCN1C(=O)c2ccccc2C1=O)c1ccc(F)cc1
InChIInChI=1S/C18H15FN2O3/c1-20(13-8-6-12(19)7-9-13)16(22)10-11-21-17(23)14-4-2-3-5-15(14)18(21)24/h2-9H,10-11H2,1H3
InChIKeyZLAUGFFHEBAZHJ-UHFFFAOYSA-N
MW326.33 g/mol
LogP2.47
Rot. Bonds4

About 3-(1,3-dioxoisoindol-2-yl)-N-(4-fluorophenyl)-N-methylpropanamide

3-(1,3-dioxoisoindol-2-yl)-N-(4-fluorophenyl)-N-methylpropanamide (PubChem CID 94626265) has the molecular formula C18H15FN2O3 and a molecular weight of 326.33 g/mol. Its IUPAC name is 3-(1,3-dioxoisoindol-2-yl)-N-(4-fluorophenyl)-N-methylpropanamide.

Molecular Properties

Compound Name3-(1,3-dioxoisoindol-2-yl)-N-(4-fluorophenyl)-N-methylpropanamide
PubChem CID94626265
Molecular FormulaC18H15FN2O3
Molecular Weight326.33 g/mol
Exact Mass326.11
IUPAC Name3-(1,3-dioxoisoindol-2-yl)-N-(4-fluorophenyl)-N-methylpropanamide
SMILESCN(C(=O)CCN1C(=O)c2ccccc2C1=O)c1ccc(F)cc1
InChIInChI=1S/C18H15FN2O3/c1-20(13-8-6-12(19)7-9-13)16(22)10-11-21-17(23)14-4-2-3-5-15(14)18(21)24/h2-9H,10-11H2,1H3
InChIKeyZLAUGFFHEBAZHJ-UHFFFAOYSA-N
XLogP2.47
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.33
LogP ≤ 52.47
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

N-Phenylphthalimide
CID 68215
2-(2-Methylphenyl)-1H-isoindole-1,3(2H)-dione
CID 94776
ML SA1
CID 2880983
2,3-Dihydro-2-phenyl-1H-isoindol-1-one
CID 97035
1-Benzylisatin
CID 264734
2,6-Dimethylphenylphthalimide
CID 73324
Cps 49
CID 9905583
2-(1,3-Dioxo-1,3-dihydro-isoindol-2-YL)-N-P-tolyl-acetamide
CID 344672
3-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-N-o-tolyl-propionamide
CID 721309
4-amino-2-methyl-2,3-dihydro-1H-isoindole-1,3-dione
CID 600596
1-Phenethylindoline-2,3-dione
CID 1894707
2-[4-(dimethylamino)phenyl]-1H-isoindole-1,3(2H)-dione
CID 748674

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dioxoisoindol-2-yl)-N-(4-fluorophenyl)-N-methylpropanamide?
The IUPAC name of 3-(1,3-dioxoisoindol-2-yl)-N-(4-fluorophenyl)-N-methylpropanamide (CID 94626265) is 3-(1,3-dioxoisoindol-2-yl)-N-(4-fluorophenyl)-N-methylpropanamide.
What is the SMILES notation for 3-(1,3-dioxoisoindol-2-yl)-N-(4-fluorophenyl)-N-methylpropanamide?
The canonical SMILES for 3-(1,3-dioxoisoindol-2-yl)-N-(4-fluorophenyl)-N-methylpropanamide is CN(C(=O)CCN1C(=O)c2ccccc2C1=O)c1ccc(F)cc1.
What is the InChIKey of 3-(1,3-dioxoisoindol-2-yl)-N-(4-fluorophenyl)-N-methylpropanamide?
The InChIKey is ZLAUGFFHEBAZHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O3/c1-20(13-8-6-12(19)7-9-13)16(22)10-11-21-17(23)14-4-2-3-5-15(14)18(21)24/h2-9H,10-11H2,1H3.
What are the key properties of 3-(1,3-dioxoisoindol-2-yl)-N-(4-fluorophenyl)-N-methylpropanamide?
3-(1,3-dioxoisoindol-2-yl)-N-(4-fluorophenyl)-N-methylpropanamide has a molecular weight of 326.33 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dioxoisoindol-2-yl)-N-(4-fluorophenyl)-N-methylpropanamide is sourced from PubChem (CID 94626265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).