3-(2,5-dioxopyrrolidin-1-yl)-N-(4-fluorophenyl)-N-methylpropanamide

C14H15FN2O3 — CID 94626292

IUPAC3-(2,5-dioxopyrrolidin-1-yl)-N-(4-fluorophenyl)-N-methylpropanamide
SMILESCN(C(=O)CCN1C(=O)CCC1=O)c1ccc(F)cc1
InChIInChI=1S/C14H15FN2O3/c1-16(11-4-2-10(15)3-5-11)12(18)8-9-17-13(19)6-7-14(17)20/h2-5H,6-9H2,1H3
InChIKeyRINALRQZFXSMOP-UHFFFAOYSA-N
MW278.28 g/mol
LogP1.33
Rot. Bonds4

About 3-(2,5-dioxopyrrolidin-1-yl)-N-(4-fluorophenyl)-N-methylpropanamide

3-(2,5-dioxopyrrolidin-1-yl)-N-(4-fluorophenyl)-N-methylpropanamide (PubChem CID 94626292) has the molecular formula C14H15FN2O3 and a molecular weight of 278.28 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrolidin-1-yl)-N-(4-fluorophenyl)-N-methylpropanamide.

Molecular Properties

Compound Name3-(2,5-dioxopyrrolidin-1-yl)-N-(4-fluorophenyl)-N-methylpropanamide
PubChem CID94626292
Molecular FormulaC14H15FN2O3
Molecular Weight278.28 g/mol
Exact Mass278.11
IUPAC Name3-(2,5-dioxopyrrolidin-1-yl)-N-(4-fluorophenyl)-N-methylpropanamide
SMILESCN(C(=O)CCN1C(=O)CCC1=O)c1ccc(F)cc1
InChIInChI=1S/C14H15FN2O3/c1-16(11-4-2-10(15)3-5-11)12(18)8-9-17-13(19)6-7-14(17)20/h2-5H,6-9H2,1H3
InChIKeyRINALRQZFXSMOP-UHFFFAOYSA-N
XLogP1.33
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 51.33
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-methoxyphenyl)-N-methylpropanamide
CID 100772393
3-(1,3-dioxoisoindol-2-yl)-N-(4-fluorophenyl)-N-methylpropanamide
CID 94626265
11-(2,5-dioxopyrrolidin-1-yl)-N-methyl-N-phenylundecanamide
CID 17035156
N-(4-fluorophenyl)-N-methylpent-4-ynamide
CID 86086919
7-amino-N-(4-fluorophenyl)-N-methylheptanamide
CID 119729880
ethane;[2-(4-fluoro-N-methylanilino)-2-oxoethyl] methanedithioate
CID 143044451
N-(4-fluorophenyl)-N-methyl-3-(2-methylpropoxy)propanamide
CID 87027884
3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(4-fluorophenoxy)butyl]propanamide
CID 32644530
4-(4-fluoro-N-methylanilino)-2-methyl-4-oxobutanoic acid
CID 115165003
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 134028900
N-(4-aminophenyl)-N-methyl-3-(4-methylpiperazin-1-yl)propanamide
CID 69059607
5-(4-fluoro-N-methylanilino)-3-methyl-5-oxopentanoic acid
CID 62965611

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dioxopyrrolidin-1-yl)-N-(4-fluorophenyl)-N-methylpropanamide?
The IUPAC name of 3-(2,5-dioxopyrrolidin-1-yl)-N-(4-fluorophenyl)-N-methylpropanamide (CID 94626292) is 3-(2,5-dioxopyrrolidin-1-yl)-N-(4-fluorophenyl)-N-methylpropanamide.
What is the SMILES notation for 3-(2,5-dioxopyrrolidin-1-yl)-N-(4-fluorophenyl)-N-methylpropanamide?
The canonical SMILES for 3-(2,5-dioxopyrrolidin-1-yl)-N-(4-fluorophenyl)-N-methylpropanamide is CN(C(=O)CCN1C(=O)CCC1=O)c1ccc(F)cc1.
What is the InChIKey of 3-(2,5-dioxopyrrolidin-1-yl)-N-(4-fluorophenyl)-N-methylpropanamide?
The InChIKey is RINALRQZFXSMOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O3/c1-16(11-4-2-10(15)3-5-11)12(18)8-9-17-13(19)6-7-14(17)20/h2-5H,6-9H2,1H3.
What are the key properties of 3-(2,5-dioxopyrrolidin-1-yl)-N-(4-fluorophenyl)-N-methylpropanamide?
3-(2,5-dioxopyrrolidin-1-yl)-N-(4-fluorophenyl)-N-methylpropanamide has a molecular weight of 278.28 g/mol, XLogP of 1.33, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxopyrrolidin-1-yl)-N-(4-fluorophenyl)-N-methylpropanamide is sourced from PubChem (CID 94626292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).