2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)-N-(4-iodophenyl)acetamide

C14H16IN3O3 — CID 55435726

IUPAC2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)-N-(4-iodophenyl)acetamide
SMILESCC(C)C1NC(=O)N(CC(=O)Nc2ccc(I)cc2)C1=O
InChIInChI=1S/C14H16IN3O3/c1-8(2)12-13(20)18(14(21)17-12)7-11(19)16-10-5-3-9(15)4-6-10/h3-6,8,12H,7H2,1-2H3,(H,16,19)(H,17,21)
InChIKeyDFBSRQGHETYHKJ-UHFFFAOYSA-N
MW401.20 g/mol
LogP1.81
Rot. Bonds4

About 2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)-N-(4-iodophenyl)acetamide

2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)-N-(4-iodophenyl)acetamide (PubChem CID 55435726) has the molecular formula C14H16IN3O3 and a molecular weight of 401.20 g/mol. Its IUPAC name is 2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)-N-(4-iodophenyl)acetamide.

Molecular Properties

Compound Name2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)-N-(4-iodophenyl)acetamide
PubChem CID55435726
Molecular FormulaC14H16IN3O3
Molecular Weight401.20 g/mol
Exact Mass401.02
IUPAC Name2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)-N-(4-iodophenyl)acetamide
SMILESCC(C)C1NC(=O)N(CC(=O)Nc2ccc(I)cc2)C1=O
InChIInChI=1S/C14H16IN3O3/c1-8(2)12-13(20)18(14(21)17-12)7-11(19)16-10-5-3-9(15)4-6-10/h3-6,8,12H,7H2,1-2H3,(H,16,19)(H,17,21)
InChIKeyDFBSRQGHETYHKJ-UHFFFAOYSA-N
XLogP1.81
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 ≤ 51.81
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

2-[(4R)-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl]-N-phenylacetamide
CID 41200746
2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)-N-phenylacetamide
CID 17409210
N-(4-acetylphenyl)-2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)acetamide
CID 18097274
2-[(4R)-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 41089956
3-[[2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)acetyl]amino]-N-methylbenzamide
CID 24582125
N-(4-chloro-3-nitrophenyl)-2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)acetamide
CID 18097275
2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)-N-(2,4,6-trichlorophenyl)acetamide
CID 18225476
2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)-N-(2-fluoro-4-methylphenyl)acetamide
CID 18143143
N-(4-bromo-2-methylphenyl)-2-[(4R)-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl]acetamide
CID 25363542
2-[(4R)-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl]acetic acid
CID 10821883
N-(4-chlorophenyl)-2-[(3S)-2,5-dioxo-3-propan-2-yl-3,4-dihydro-1,4-benzodiazepin-1-yl]acetamide
CID 71829706
N-(4-chlorophenyl)-2-[(3R)-2,5-dioxo-3-propan-2-yl-3,4-dihydro-1,4-benzodiazepin-1-yl]acetamide
CID 96564219

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)-N-(4-iodophenyl)acetamide?
The IUPAC name of 2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)-N-(4-iodophenyl)acetamide (CID 55435726) is 2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)-N-(4-iodophenyl)acetamide.
What is the SMILES notation for 2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)-N-(4-iodophenyl)acetamide?
The canonical SMILES for 2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)-N-(4-iodophenyl)acetamide is CC(C)C1NC(=O)N(CC(=O)Nc2ccc(I)cc2)C1=O.
What is the InChIKey of 2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)-N-(4-iodophenyl)acetamide?
The InChIKey is DFBSRQGHETYHKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16IN3O3/c1-8(2)12-13(20)18(14(21)17-12)7-11(19)16-10-5-3-9(15)4-6-10/h3-6,8,12H,7H2,1-2H3,(H,16,19)(H,17,21).
What are the key properties of 2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)-N-(4-iodophenyl)acetamide?
2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)-N-(4-iodophenyl)acetamide has a molecular weight of 401.20 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)-N-(4-iodophenyl)acetamide is sourced from PubChem (CID 55435726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).