2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-pentan-3-ylacetamide

C17H22ClN3O3 — CID 2705958

IUPAC2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)CN1C(=O)N[C@@](C)(c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C17H22ClN3O3/c1-4-13(5-2)19-14(22)10-21-15(23)17(3,20-16(21)24)11-6-8-12(18)9-7-11/h6-9,13H,4-5,10H2,1-3H3,(H,19,22)(H,20,24)/t17-/m0/s1
InChIKeyYRRYIHBFFTUPJJ-KRWDZBQOSA-N
MW351.83 g/mol
LogP2.41
Rot. Bonds6

About 2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-pentan-3-ylacetamide

2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-pentan-3-ylacetamide (PubChem CID 2705958) has the molecular formula C17H22ClN3O3 and a molecular weight of 351.83 g/mol. Its IUPAC name is 2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-pentan-3-ylacetamide.

Molecular Properties

Compound Name2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-pentan-3-ylacetamide
PubChem CID2705958
Molecular FormulaC17H22ClN3O3
Molecular Weight351.83 g/mol
Exact Mass351.13
IUPAC Name2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)CN1C(=O)N[C@@](C)(c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C17H22ClN3O3/c1-4-13(5-2)19-14(22)10-21-15(23)17(3,20-16(21)24)11-6-8-12(18)9-7-11/h6-9,13H,4-5,10H2,1-3H3,(H,19,22)(H,20,24)/t17-/m0/s1
InChIKeyYRRYIHBFFTUPJJ-KRWDZBQOSA-N
XLogP2.41
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.83
LogP ≤ 52.41
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

N-[(2R)-butan-2-yl]-2-[(4R)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2705949
N-[(2S)-butan-2-yl]-2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2705946
2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-pentan-3-ylacetamide
CID 17403701
2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-pentylacetamide
CID 40747967
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7179083
N-carbamoyl-2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2691171
2-[(4S)-4-(2-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-pentan-3-ylacetamide
CID 94800969
2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(ethylcarbamoyl)acetamide
CID 2633579
N-(4-butan-2-ylphenyl)-2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 3501889
N-[1-(4-chlorophenyl)-2-methylpropyl]-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 46525783
2-[(4R)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]acetamide
CID 92786542
N-[(2S)-butan-2-yl]-2-[(4S)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2702977

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-pentan-3-ylacetamide?
The IUPAC name of 2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-pentan-3-ylacetamide (CID 2705958) is 2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-pentan-3-ylacetamide.
What is the SMILES notation for 2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-pentan-3-ylacetamide?
The canonical SMILES for 2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-pentan-3-ylacetamide is CCC(CC)NC(=O)CN1C(=O)N[C@@](C)(c2ccc(Cl)cc2)C1=O.
What is the InChIKey of 2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-pentan-3-ylacetamide?
The InChIKey is YRRYIHBFFTUPJJ-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H22ClN3O3/c1-4-13(5-2)19-14(22)10-21-15(23)17(3,20-16(21)24)11-6-8-12(18)9-7-11/h6-9,13H,4-5,10H2,1-3H3,(H,19,22)(H,20,24)/t17-/m0/s1.
What are the key properties of 2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-pentan-3-ylacetamide?
2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-pentan-3-ylacetamide has a molecular weight of 351.83 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-pentan-3-ylacetamide is sourced from PubChem (CID 2705958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).