N-(2,2-dimethoxyethyl)-N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-2-fluorobenzamide

C24H27FN2O5 — CID 23972517

IUPACN-(2,2-dimethoxyethyl)-N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-2-fluorobenzamide
SMILESCOC(CN(C(=O)c1ccccc1F)C1CC(=O)N(c2ccc(C(C)C)cc2)C1=O)OC
InChIInChI=1S/C24H27FN2O5/c1-15(2)16-9-11-17(12-10-16)27-21(28)13-20(24(27)30)26(14-22(31-3)32-4)23(29)18-7-5-6-8-19(18)25/h5-12,15,20,22H,13-14H2,1-4H3
InChIKeyQJTAGCNMXXWTBJ-UHFFFAOYSA-N
MW442.49 g/mol
LogP3.34
Rot. Bonds8

About N-(2,2-dimethoxyethyl)-N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-2-fluorobenzamide

N-(2,2-dimethoxyethyl)-N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-2-fluorobenzamide (PubChem CID 23972517) has the molecular formula C24H27FN2O5 and a molecular weight of 442.49 g/mol. Its IUPAC name is N-(2,2-dimethoxyethyl)-N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-(2,2-dimethoxyethyl)-N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-2-fluorobenzamide
PubChem CID23972517
Molecular FormulaC24H27FN2O5
Molecular Weight442.49 g/mol
Exact Mass442.19
IUPAC NameN-(2,2-dimethoxyethyl)-N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-2-fluorobenzamide
SMILESCOC(CN(C(=O)c1ccccc1F)C1CC(=O)N(c2ccc(C(C)C)cc2)C1=O)OC
InChIInChI=1S/C24H27FN2O5/c1-15(2)16-9-11-17(12-10-16)27-21(28)13-20(24(27)30)26(14-22(31-3)32-4)23(29)18-7-5-6-8-19(18)25/h5-12,15,20,22H,13-14H2,1-4H3
InChIKeyQJTAGCNMXXWTBJ-UHFFFAOYSA-N
XLogP3.34
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.49
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-(2,2-dimethoxyethyl)-N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]adamantane-1-carboxamide
CID 23916670
N-(2,2-dimethoxyethyl)-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-4-fluorobenzamide
CID 23832321
N-benzyl-N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-2-fluorobenzamide
CID 23944461
N-(2,2-dimethoxyethyl)-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 23803703
N-(2,2-dimethoxyethyl)-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-3,4-dimethoxybenzamide
CID 23860670
N-(2,2-dimethoxyethyl)-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]thiophene-2-carboxamide
CID 23915257
N-(2,2-dimethoxyethyl)-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-4-methoxybenzamide
CID 23803485
ethyl 4-[3-[benzyl-(2-fluorobenzoyl)amino]-2,5-dioxopyrrolidin-1-yl]benzoate
CID 23774432
N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-2-fluoro-N-prop-2-enylbenzamide
CID 23745245
N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-N-(2-phenylethyl)acetamide
CID 23915042
N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-2-fluoro-N-(oxolan-2-ylmethyl)benzamide
CID 23745254
2-fluoro-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-methylbutan-2-yl)benzamide
CID 23916507

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethoxyethyl)-N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-2-fluorobenzamide?
The IUPAC name of N-(2,2-dimethoxyethyl)-N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-2-fluorobenzamide (CID 23972517) is N-(2,2-dimethoxyethyl)-N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-2-fluorobenzamide.
What is the SMILES notation for N-(2,2-dimethoxyethyl)-N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-2-fluorobenzamide?
The canonical SMILES for N-(2,2-dimethoxyethyl)-N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-2-fluorobenzamide is COC(CN(C(=O)c1ccccc1F)C1CC(=O)N(c2ccc(C(C)C)cc2)C1=O)OC.
What is the InChIKey of N-(2,2-dimethoxyethyl)-N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-2-fluorobenzamide?
The InChIKey is QJTAGCNMXXWTBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN2O5/c1-15(2)16-9-11-17(12-10-16)27-21(28)13-20(24(27)30)26(14-22(31-3)32-4)23(29)18-7-5-6-8-19(18)25/h5-12,15,20,22H,13-14H2,1-4H3.
What are the key properties of N-(2,2-dimethoxyethyl)-N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-2-fluorobenzamide?
N-(2,2-dimethoxyethyl)-N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-2-fluorobenzamide has a molecular weight of 442.49 g/mol, XLogP of 3.34, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethoxyethyl)-N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-2-fluorobenzamide is sourced from PubChem (CID 23972517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).