N-cyclopentyl-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-2-methylbenzamide

C23H23FN2O3 — CID 23944547

IUPACN-cyclopentyl-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)N(C1CCCC1)C1CC(=O)N(c2ccc(F)cc2)C1=O
InChIInChI=1S/C23H23FN2O3/c1-15-6-2-5-9-19(15)22(28)25(17-7-3-4-8-17)20-14-21(27)26(23(20)29)18-12-10-16(24)11-13-18/h2,5-6,9-13,17,20H,3-4,7-8,14H2,1H3
InChIKeyBHSBUNQBDAROHJ-UHFFFAOYSA-N
MW394.45 g/mol
LogP3.85
Rot. Bonds4

About N-cyclopentyl-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-2-methylbenzamide

N-cyclopentyl-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-2-methylbenzamide (PubChem CID 23944547) has the molecular formula C23H23FN2O3 and a molecular weight of 394.45 g/mol. Its IUPAC name is N-cyclopentyl-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-2-methylbenzamide.

Molecular Properties

Compound NameN-cyclopentyl-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-2-methylbenzamide
PubChem CID23944547
Molecular FormulaC23H23FN2O3
Molecular Weight394.45 g/mol
Exact Mass394.17
IUPAC NameN-cyclopentyl-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)N(C1CCCC1)C1CC(=O)N(c2ccc(F)cc2)C1=O
InChIInChI=1S/C23H23FN2O3/c1-15-6-2-5-9-19(15)22(28)25(17-7-3-4-8-17)20-14-21(27)26(23(20)29)18-12-10-16(24)11-13-18/h2,5-6,9-13,17,20H,3-4,7-8,14H2,1H3
InChIKeyBHSBUNQBDAROHJ-UHFFFAOYSA-N
XLogP3.85
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 53.85
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-cyclohexyl-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-2-methylbenzamide
CID 23832372
N-cycloheptyl-4-fluoro-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]benzamide
CID 23972519
N-cyclohexyl-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-2-fluorobenzamide
CID 23745237
N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-2-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 23860826
[4-[3-[cycloheptyl-(4-fluorobenzoyl)amino]-2,5-dioxopyrrolidin-1-yl]phenyl] acetate
CID 23774444
N-cyclohexyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-4-fluorobenzamide
CID 25039846
N-cyclopropyl-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 23745447
N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cycloheptyl-4-methylbenzamide
CID 23944596
N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cyclohexyl-4-methylbenzamide
CID 23832421
N-cyclohexyl-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]thiophene-2-carboxamide
CID 23943157
N-cyclohexyl-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]adamantane-1-carboxamide
CID 23832441
N-cyclopentyl-3-methoxy-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]benzamide
CID 23745191

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-2-methylbenzamide?
The IUPAC name of N-cyclopentyl-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-2-methylbenzamide (CID 23944547) is N-cyclopentyl-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-2-methylbenzamide.
What is the SMILES notation for N-cyclopentyl-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-2-methylbenzamide?
The canonical SMILES for N-cyclopentyl-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-2-methylbenzamide is Cc1ccccc1C(=O)N(C1CCCC1)C1CC(=O)N(c2ccc(F)cc2)C1=O.
What is the InChIKey of N-cyclopentyl-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-2-methylbenzamide?
The InChIKey is BHSBUNQBDAROHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O3/c1-15-6-2-5-9-19(15)22(28)25(17-7-3-4-8-17)20-14-21(27)26(23(20)29)18-12-10-16(24)11-13-18/h2,5-6,9-13,17,20H,3-4,7-8,14H2,1H3.
What are the key properties of N-cyclopentyl-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-2-methylbenzamide?
N-cyclopentyl-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-2-methylbenzamide has a molecular weight of 394.45 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-2-methylbenzamide is sourced from PubChem (CID 23944547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).