2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]acetamide

C19H24FN3O3 — CID 90653375

IUPAC2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]acetamide
SMILESCC1(C)NC(=O)N(CC(=O)N[C@H]2CCC[C@H]2Cc2ccc(F)cc2)C1=O
InChIInChI=1S/C19H24FN3O3/c1-19(2)17(25)23(18(26)22-19)11-16(24)21-15-5-3-4-13(15)10-12-6-8-14(20)9-7-12/h6-9,13,15H,3-5,10-11H2,1-2H3,(H,21,24)(H,22,26)/t13-,15-/m0/s1
InChIKeyIQVNHFJDFUHOTH-ZFWWWQNUSA-N
MW361.42 g/mol
LogP1.98
Rot. Bonds5

About 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]acetamide

2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]acetamide (PubChem CID 90653375) has the molecular formula C19H24FN3O3 and a molecular weight of 361.42 g/mol. Its IUPAC name is 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]acetamide.

Molecular Properties

Compound Name2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]acetamide
PubChem CID90653375
Molecular FormulaC19H24FN3O3
Molecular Weight361.42 g/mol
Exact Mass361.18
IUPAC Name2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]acetamide
SMILESCC1(C)NC(=O)N(CC(=O)N[C@H]2CCC[C@H]2Cc2ccc(F)cc2)C1=O
InChIInChI=1S/C19H24FN3O3/c1-19(2)17(25)23(18(26)22-19)11-16(24)21-15-5-3-4-13(15)10-12-6-8-14(20)9-7-12/h6-9,13,15H,3-5,10-11H2,1-2H3,(H,21,24)(H,22,26)/t13-,15-/m0/s1
InChIKeyIQVNHFJDFUHOTH-ZFWWWQNUSA-N
XLogP1.98
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[2-(hydroxymethyl)cyclohexyl]acetamide
CID 103860271
2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(1R,2R)-2-(hydroxymethyl)cyclopentyl]acetamide
CID 96540121
N-[(S)-cyclopentyl-(4-fluorophenyl)methyl]-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 97021767
N-[2-(aminomethyl)cyclohexyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide;hydrochloride
CID 119609686
N-cyclooctyl-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 51250040
2-[(4S)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CID 11892741
2-[(4R)-4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CID 7801402
N-[2-(aminomethyl)cyclopentyl]-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 119602035
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-methylcyclohexyl)acetamide
CID 17433534
3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(2-hydroxycyclohexyl)propanamide
CID 62367006
[2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 46606498
N-[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]-6-methyl-4-oxopyran-2-carboxamide
CID 90648014

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]acetamide?
The IUPAC name of 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]acetamide (CID 90653375) is 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]acetamide.
What is the SMILES notation for 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]acetamide?
The canonical SMILES for 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]acetamide is CC1(C)NC(=O)N(CC(=O)N[C@H]2CCC[C@H]2Cc2ccc(F)cc2)C1=O.
What is the InChIKey of 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]acetamide?
The InChIKey is IQVNHFJDFUHOTH-ZFWWWQNUSA-N. The full InChI is InChI=1S/C19H24FN3O3/c1-19(2)17(25)23(18(26)22-19)11-16(24)21-15-5-3-4-13(15)10-12-6-8-14(20)9-7-12/h6-9,13,15H,3-5,10-11H2,1-2H3,(H,21,24)(H,22,26)/t13-,15-/m0/s1.
What are the key properties of 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]acetamide?
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]acetamide has a molecular weight of 361.42 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]acetamide is sourced from PubChem (CID 90653375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).