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

3-(2,5-dioxopyrrolidin-1-yl)-N-(4-fluorophenyl)-N-methylpropanamide
CID 94626292
3-(1,3-dioxoisoindol-2-yl)-N-(3-methoxyphenyl)-N-methylpropanamide
CID 100772639
2-[3-(1,3-dioxoisoindol-2-yl)propanoyl-methylamino]-2-methylpropanoic acid
CID 119199928
2-[3-(1,3-dioxoisoindol-2-yl)propanoyl-methylamino]propanoic acid
CID 119208715
3-(1,3-dioxoisoindol-2-yl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]propanamide
CID 8960643
3-(1,3-dioxoisoindol-2-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 2712696
3-(1,3-dioxoisoindol-2-yl)-N-(4-methylphenyl)-N-(4-methylphenyl)sulfonylpropanamide
CID 19219033
2-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]isoindole-1,3-dione
CID 2302169
2-[3-(1,3-dioxoisoindol-2-yl)propanoyl-propan-2-ylamino]acetic acid
CID 119197989
N-(4-fluorophenyl)-N-methylpent-4-ynamide
CID 86086919
N-[2-(tert-butylamino)-2-oxoethyl]-3-(1,3-dioxoisoindol-2-yl)-N-methylpropanamide
CID 9193681
3-(1,3-dioxoisoindol-2-yl)-N-[(4-fluorophenyl)-phenylmethyl]propanamide
CID 55583655

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).