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

C18H22FN3O3 — CID 94815011

IUPACN-cyclohexyl-2-[(4S)-4-(2-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESC[C@@]1(c2ccccc2F)NC(=O)N(CC(=O)NC2CCCCC2)C1=O
InChIInChI=1S/C18H22FN3O3/c1-18(13-9-5-6-10-14(13)19)16(24)22(17(25)21-18)11-15(23)20-12-7-3-2-4-8-12/h5-6,9-10,12H,2-4,7-8,11H2,1H3,(H,20,23)(H,21,25)/t18-/m0/s1
InChIKeyXTRVLWJLNQDGMA-SFHVURJKSA-N
MW347.39 g/mol
LogP2.04
Rot. Bonds4

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

N-cyclohexyl-2-[(4S)-4-(2-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 94815011) has the molecular formula C18H22FN3O3 and a molecular weight of 347.39 g/mol. Its IUPAC name is N-cyclohexyl-2-[(4S)-4-(2-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[(4S)-4-(2-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
PubChem CID94815011
Molecular FormulaC18H22FN3O3
Molecular Weight347.39 g/mol
Exact Mass347.16
IUPAC NameN-cyclohexyl-2-[(4S)-4-(2-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESC[C@@]1(c2ccccc2F)NC(=O)N(CC(=O)NC2CCCCC2)C1=O
InChIInChI=1S/C18H22FN3O3/c1-18(13-9-5-6-10-14(13)19)16(24)22(17(25)21-18)11-15(23)20-12-7-3-2-4-8-12/h5-6,9-10,12H,2-4,7-8,11H2,1H3,(H,20,23)(H,21,25)/t18-/m0/s1
InChIKeyXTRVLWJLNQDGMA-SFHVURJKSA-N
XLogP2.04
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 52.04
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-[(4R)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-cyclopentylacetamide
CID 2711182
N-cyclohexyl-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 2580985
N-cyclooctyl-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 51250040
N-cyclopentyl-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 2580741
2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-cyclooctylacetamide
CID 2705918
2-[4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(cyclohexylcarbamoyl)acetamide
CID 4813035
N-cyclopentyl-2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2582043
N-cyclopentyl-2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 24537305
2-[4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-methylcyclohexyl)acetamide
CID 55374709
2-[4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-cycloheptylacetamide
CID 51139022
2-[(4S)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-cyclohexylacetamide
CID 2081705
(5S)-5-(2-fluorophenyl)-5-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione
CID 94797964

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[(4S)-4-(2-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-cyclohexyl-2-[(4S)-4-(2-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (CID 94815011) is N-cyclohexyl-2-[(4S)-4-(2-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[(4S)-4-(2-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-cyclohexyl-2-[(4S)-4-(2-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is C[C@@]1(c2ccccc2F)NC(=O)N(CC(=O)NC2CCCCC2)C1=O.
What is the InChIKey of N-cyclohexyl-2-[(4S)-4-(2-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The InChIKey is XTRVLWJLNQDGMA-SFHVURJKSA-N. The full InChI is InChI=1S/C18H22FN3O3/c1-18(13-9-5-6-10-14(13)19)16(24)22(17(25)21-18)11-15(23)20-12-7-3-2-4-8-12/h5-6,9-10,12H,2-4,7-8,11H2,1H3,(H,20,23)(H,21,25)/t18-/m0/s1.
What are the key properties of N-cyclohexyl-2-[(4S)-4-(2-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
N-cyclohexyl-2-[(4S)-4-(2-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 347.39 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[(4S)-4-(2-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 94815011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).