2-fluoro-N-(2-methylbutan-2-yl)-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]benzamide

C23H25FN2O3 — CID 23972507

IUPAC2-fluoro-N-(2-methylbutan-2-yl)-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]benzamide
SMILESCCC(C)(C)N(C(=O)c1ccccc1F)C1CC(=O)N(c2ccc(C)cc2)C1=O
InChIInChI=1S/C23H25FN2O3/c1-5-23(3,4)26(21(28)17-8-6-7-9-18(17)24)19-14-20(27)25(22(19)29)16-12-10-15(2)11-13-16/h6-13,19H,5,14H2,1-4H3
InChIKeyAOEDVANZESJSHP-UHFFFAOYSA-N
MW396.46 g/mol
LogP4.10
Rot. Bonds5

About 2-fluoro-N-(2-methylbutan-2-yl)-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]benzamide

2-fluoro-N-(2-methylbutan-2-yl)-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]benzamide (PubChem CID 23972507) has the molecular formula C23H25FN2O3 and a molecular weight of 396.46 g/mol. Its IUPAC name is 2-fluoro-N-(2-methylbutan-2-yl)-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-(2-methylbutan-2-yl)-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]benzamide
PubChem CID23972507
Molecular FormulaC23H25FN2O3
Molecular Weight396.46 g/mol
Exact Mass396.18
IUPAC Name2-fluoro-N-(2-methylbutan-2-yl)-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]benzamide
SMILESCCC(C)(C)N(C(=O)c1ccccc1F)C1CC(=O)N(c2ccc(C)cc2)C1=O
InChIInChI=1S/C23H25FN2O3/c1-5-23(3,4)26(21(28)17-8-6-7-9-18(17)24)19-14-20(27)25(22(19)29)16-12-10-15(2)11-13-16/h6-13,19H,5,14H2,1-4H3
InChIKeyAOEDVANZESJSHP-UHFFFAOYSA-N
XLogP4.10
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.46
LogP ≤ 54.10
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-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-methylbutan-2-yl)benzamide
CID 23916507
N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-3-methyl-N-(2-methylbutan-2-yl)benzamide
CID 23745389
4-methoxy-N-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-methylbutan-2-yl)benzamide
CID 23832270
2-fluoro-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-(pyridin-3-ylmethyl)benzamide
CID 23972511
N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-N-(2-methylbutan-2-yl)cyclohexanecarboxamide
CID 23773063
N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-3,4-dimethoxy-N-(2-methylbutan-2-yl)benzamide
CID 23916425
ethyl 4-[3-[benzyl-(2-fluorobenzoyl)amino]-2,5-dioxopyrrolidin-1-yl]benzoate
CID 23774432
N-benzyl-N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-2-fluorobenzamide
CID 23944461
N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-2-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 23860826
N-[1-[4-(1,3-benzoxazol-2-yl)phenyl]-2,5-dioxopyrrolidin-3-yl]-2-fluoro-N-[(4-methylphenyl)methyl]benzamide
CID 23803496
4-chloro-N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-methylbutan-2-yl)-3-nitrobenzamide
CID 23916406
N-[1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2,5-dioxopyrrolidin-3-yl]-N-(2-methylbutan-2-yl)-2-phenoxyacetamide
CID 23743798

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(2-methylbutan-2-yl)-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]benzamide?
The IUPAC name of 2-fluoro-N-(2-methylbutan-2-yl)-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]benzamide (CID 23972507) is 2-fluoro-N-(2-methylbutan-2-yl)-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]benzamide.
What is the SMILES notation for 2-fluoro-N-(2-methylbutan-2-yl)-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]benzamide?
The canonical SMILES for 2-fluoro-N-(2-methylbutan-2-yl)-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]benzamide is CCC(C)(C)N(C(=O)c1ccccc1F)C1CC(=O)N(c2ccc(C)cc2)C1=O.
What is the InChIKey of 2-fluoro-N-(2-methylbutan-2-yl)-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]benzamide?
The InChIKey is AOEDVANZESJSHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN2O3/c1-5-23(3,4)26(21(28)17-8-6-7-9-18(17)24)19-14-20(27)25(22(19)29)16-12-10-15(2)11-13-16/h6-13,19H,5,14H2,1-4H3.
What are the key properties of 2-fluoro-N-(2-methylbutan-2-yl)-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]benzamide?
2-fluoro-N-(2-methylbutan-2-yl)-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]benzamide has a molecular weight of 396.46 g/mol, XLogP of 4.10, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(2-methylbutan-2-yl)-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]benzamide is sourced from PubChem (CID 23972507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).