N-(1-adamantylcarbamoyl)-2-[4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide

C23H26F2N4O4 — CID 55374669

IUPACN-(1-adamantylcarbamoyl)-2-[4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCC1(c2cc(F)ccc2F)NC(=O)N(CC(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)C1=O
InChIInChI=1S/C23H26F2N4O4/c1-22(16-7-15(24)2-3-17(16)25)19(31)29(21(33)28-22)11-18(30)26-20(32)27-23-8-12-4-13(9-23)6-14(5-12)10-23/h2-3,7,12-14H,4-6,8-11H2,1H3,(H,28,33)(H2,26,27,30,32)
InChIKeyDBQSTXGRBWFMLD-UHFFFAOYSA-N
MW460.48 g/mol
LogP2.53
Rot. Bonds4

About N-(1-adamantylcarbamoyl)-2-[4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide

N-(1-adamantylcarbamoyl)-2-[4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 55374669) has the molecular formula C23H26F2N4O4 and a molecular weight of 460.48 g/mol. Its IUPAC name is N-(1-adamantylcarbamoyl)-2-[4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(1-adamantylcarbamoyl)-2-[4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
PubChem CID55374669
Molecular FormulaC23H26F2N4O4
Molecular Weight460.48 g/mol
Exact Mass460.19
IUPAC NameN-(1-adamantylcarbamoyl)-2-[4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCC1(c2cc(F)ccc2F)NC(=O)N(CC(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)C1=O
InChIInChI=1S/C23H26F2N4O4/c1-22(16-7-15(24)2-3-17(16)25)19(31)29(21(33)28-22)11-18(30)26-20(32)27-23-8-12-4-13(9-23)6-14(5-12)10-23/h2-3,7,12-14H,4-6,8-11H2,1H3,(H,28,33)(H2,26,27,30,32)
InChIKeyDBQSTXGRBWFMLD-UHFFFAOYSA-N
XLogP2.53
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.48
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

2-[4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(2-methylcyclohexyl)carbamoyl]acetamide
CID 55374711
N-(1-adamantylcarbamoyl)-2-[4-methyl-4-(3-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 55685061
2-[4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-methylcyclohexyl)acetamide
CID 55374709
methyl 2-[4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 78643753
2-[(4R)-4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CID 7801402
N-[(4-chlorophenyl)methyl]-2-[(4R)-4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7801238
2-[(4R)-4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-methoxyethyl)acetamide
CID 7801352
N-(4-acetylphenyl)-2-[(4S)-4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7801296
N-(4-acetylphenyl)-2-[(4R)-4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7801295
2-[(4S)-4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N,N-di(propan-2-yl)acetamide
CID 7801378
2-[(4S)-4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-methylsulfanylphenyl)acetamide
CID 7801292
2-[(4S)-4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 7801285

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylcarbamoyl)-2-[4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-(1-adamantylcarbamoyl)-2-[4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (CID 55374669) is N-(1-adamantylcarbamoyl)-2-[4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-(1-adamantylcarbamoyl)-2-[4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-(1-adamantylcarbamoyl)-2-[4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is CC1(c2cc(F)ccc2F)NC(=O)N(CC(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)C1=O.
What is the InChIKey of N-(1-adamantylcarbamoyl)-2-[4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The InChIKey is DBQSTXGRBWFMLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F2N4O4/c1-22(16-7-15(24)2-3-17(16)25)19(31)29(21(33)28-22)11-18(30)26-20(32)27-23-8-12-4-13(9-23)6-14(5-12)10-23/h2-3,7,12-14H,4-6,8-11H2,1H3,(H,28,33)(H2,26,27,30,32).
What are the key properties of N-(1-adamantylcarbamoyl)-2-[4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
N-(1-adamantylcarbamoyl)-2-[4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 460.48 g/mol, XLogP of 2.53, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylcarbamoyl)-2-[4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 55374669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).