N-cyclohexyl-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]adamantane-1-carboxamide

C27H33FN2O3 — CID 23832441

IUPACN-cyclohexyl-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]adamantane-1-carboxamide
SMILESO=C1CC(N(C(=O)C23CC4CC(CC(C4)C2)C3)C2CCCCC2)C(=O)N1c1ccc(F)cc1
InChIInChI=1S/C27H33FN2O3/c28-20-6-8-22(9-7-20)30-24(31)13-23(25(30)32)29(21-4-2-1-3-5-21)26(33)27-14-17-10-18(15-27)12-19(11-17)16-27/h6-9,17-19,21,23H,1-5,10-16H2
InChIKeyFHVZJYMKXOEABE-UHFFFAOYSA-N
MW452.57 g/mol
LogP4.84
Rot. Bonds4

About N-cyclohexyl-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]adamantane-1-carboxamide

N-cyclohexyl-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]adamantane-1-carboxamide (PubChem CID 23832441) has the molecular formula C27H33FN2O3 and a molecular weight of 452.57 g/mol. Its IUPAC name is N-cyclohexyl-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]adamantane-1-carboxamide
PubChem CID23832441
Molecular FormulaC27H33FN2O3
Molecular Weight452.57 g/mol
Exact Mass452.25
IUPAC NameN-cyclohexyl-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]adamantane-1-carboxamide
SMILESO=C1CC(N(C(=O)C23CC4CC(CC(C4)C2)C3)C2CCCCC2)C(=O)N1c1ccc(F)cc1
InChIInChI=1S/C27H33FN2O3/c28-20-6-8-22(9-7-20)30-24(31)13-23(25(30)32)29(21-4-2-1-3-5-21)26(33)27-14-17-10-18(15-27)12-19(11-17)16-27/h6-9,17-19,21,23H,1-5,10-16H2
InChIKeyFHVZJYMKXOEABE-UHFFFAOYSA-N
XLogP4.84
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.57
LogP ≤ 54.84
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-cycloheptyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]adamantane-1-carboxamide
CID 25042291
N-cyclopropyl-N-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]adamantane-1-carboxamide
CID 23774586
N-cycloheptyl-4-fluoro-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]benzamide
CID 23972519
N-cyclohexyl-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-2-methylbenzamide
CID 23832372
N-[(4-fluorophenyl)methyl]-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]adamantane-1-carboxamide
CID 23774596
[4-[3-[cycloheptyl-(4-fluorobenzoyl)amino]-2,5-dioxopyrrolidin-1-yl]phenyl] acetate
CID 23774444
N-[(4-fluorophenyl)methyl]-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]adamantane-1-carboxamide
CID 23774594
N-cyclopentyl-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-2-methylbenzamide
CID 23944547
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-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cyclohexylacetamide
CID 23830804
N-cyclohexyl-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-2-fluorobenzamide
CID 23745237

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]adamantane-1-carboxamide?
The IUPAC name of N-cyclohexyl-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]adamantane-1-carboxamide (CID 23832441) is N-cyclohexyl-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]adamantane-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]adamantane-1-carboxamide?
The canonical SMILES for N-cyclohexyl-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]adamantane-1-carboxamide is O=C1CC(N(C(=O)C23CC4CC(CC(C4)C2)C3)C2CCCCC2)C(=O)N1c1ccc(F)cc1.
What is the InChIKey of N-cyclohexyl-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]adamantane-1-carboxamide?
The InChIKey is FHVZJYMKXOEABE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33FN2O3/c28-20-6-8-22(9-7-20)30-24(31)13-23(25(30)32)29(21-4-2-1-3-5-21)26(33)27-14-17-10-18(15-27)12-19(11-17)16-27/h6-9,17-19,21,23H,1-5,10-16H2.
What are the key properties of N-cyclohexyl-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]adamantane-1-carboxamide?
N-cyclohexyl-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]adamantane-1-carboxamide has a molecular weight of 452.57 g/mol, XLogP of 4.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]adamantane-1-carboxamide is sourced from PubChem (CID 23832441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).