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

C14H16IN3O3 — CID 7916609

IUPAC2-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-iodophenyl)acetamide
SMILESCC[C@]1(C)NC(=O)N(CC(=O)Nc2ccc(I)cc2)C1=O
InChIInChI=1S/C14H16IN3O3/c1-3-14(2)12(20)18(13(21)17-14)8-11(19)16-10-6-4-9(15)5-7-10/h4-7H,3,8H2,1-2H3,(H,16,19)(H,17,21)/t14-/m0/s1
InChIKeyFVRBCTSKIZGDDY-AWEZNQCLSA-N
MW401.20 g/mol
LogP1.95
Rot. Bonds4

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

2-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-iodophenyl)acetamide (PubChem CID 7916609) has the molecular formula C14H16IN3O3 and a molecular weight of 401.20 g/mol. Its IUPAC name is 2-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-iodophenyl)acetamide.

Molecular Properties

Compound Name2-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-iodophenyl)acetamide
PubChem CID7916609
Molecular FormulaC14H16IN3O3
Molecular Weight401.20 g/mol
Exact Mass401.02
IUPAC Name2-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-iodophenyl)acetamide
SMILESCC[C@]1(C)NC(=O)N(CC(=O)Nc2ccc(I)cc2)C1=O
InChIInChI=1S/C14H16IN3O3/c1-3-14(2)12(20)18(13(21)17-14)8-11(19)16-10-6-4-9(15)5-7-10/h4-7H,3,8H2,1-2H3,(H,16,19)(H,17,21)/t14-/m0/s1
InChIKeyFVRBCTSKIZGDDY-AWEZNQCLSA-N
XLogP1.95
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.20
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chlorophenyl)-2-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7916645
2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(4-phenoxyphenyl)acetamide
CID 17445056
2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-iodophenyl)acetamide
CID 4804766
N-(3,5-dimethylphenyl)-2-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2117004
N-[4-(diethylsulfamoyl)phenyl]-2-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7916612
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(4-iodophenyl)acetamide
CID 2701826
2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(1H-pyrazol-4-yl)acetamide
CID 43540466
N-(4-ethylphenyl)-2-(4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 42964408
2-[4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-methylphenyl)acetamide
CID 5002767
N-(4-acetamidophenyl)-2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 7181137
2-(4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(3-iodophenyl)acetamide
CID 4810361
2-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide
CID 7916625

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-iodophenyl)acetamide?
The IUPAC name of 2-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-iodophenyl)acetamide (CID 7916609) is 2-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-iodophenyl)acetamide.
What is the SMILES notation for 2-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-iodophenyl)acetamide?
The canonical SMILES for 2-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-iodophenyl)acetamide is CC[C@]1(C)NC(=O)N(CC(=O)Nc2ccc(I)cc2)C1=O.
What is the InChIKey of 2-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-iodophenyl)acetamide?
The InChIKey is FVRBCTSKIZGDDY-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H16IN3O3/c1-3-14(2)12(20)18(13(21)17-14)8-11(19)16-10-6-4-9(15)5-7-10/h4-7H,3,8H2,1-2H3,(H,16,19)(H,17,21)/t14-/m0/s1.
What are the key properties of 2-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-iodophenyl)acetamide?
2-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-iodophenyl)acetamide has a molecular weight of 401.20 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-iodophenyl)acetamide is sourced from PubChem (CID 7916609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).