N-(2-iodophenyl)-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide

C18H16IN3O3 — CID 2636303

IUPACN-(2-iodophenyl)-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
SMILESC[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccccc2I)C1=O
InChIInChI=1S/C18H16IN3O3/c1-18(12-7-3-2-4-8-12)16(24)22(17(25)21-18)11-15(23)20-14-10-6-5-9-13(14)19/h2-10H,11H2,1H3,(H,20,23)(H,21,25)/t18-/m1/s1
InChIKeyHHQCBPFGEGDBPL-GOSISDBHSA-N
MW449.25 g/mol
LogP2.70
Rot. Bonds4

About N-(2-iodophenyl)-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide

N-(2-iodophenyl)-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide (PubChem CID 2636303) has the molecular formula C18H16IN3O3 and a molecular weight of 449.25 g/mol. Its IUPAC name is N-(2-iodophenyl)-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-iodophenyl)-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
PubChem CID2636303
Molecular FormulaC18H16IN3O3
Molecular Weight449.25 g/mol
Exact Mass449.02
IUPAC NameN-(2-iodophenyl)-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
SMILESC[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccccc2I)C1=O
InChIInChI=1S/C18H16IN3O3/c1-18(12-7-3-2-4-8-12)16(24)22(17(25)21-18)11-15(23)20-14-10-6-5-9-13(14)19/h2-10H,11H2,1H3,(H,20,23)(H,21,25)/t18-/m1/s1
InChIKeyHHQCBPFGEGDBPL-GOSISDBHSA-N
XLogP2.70
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.25
LogP ≤ 52.70
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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Frequently Asked Questions

What is the IUPAC name of N-(2-iodophenyl)-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide?
The IUPAC name of N-(2-iodophenyl)-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide (CID 2636303) is N-(2-iodophenyl)-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-(2-iodophenyl)-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide?
The canonical SMILES for N-(2-iodophenyl)-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide is C[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccccc2I)C1=O.
What is the InChIKey of N-(2-iodophenyl)-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide?
The InChIKey is HHQCBPFGEGDBPL-GOSISDBHSA-N. The full InChI is InChI=1S/C18H16IN3O3/c1-18(12-7-3-2-4-8-12)16(24)22(17(25)21-18)11-15(23)20-14-10-6-5-9-13(14)19/h2-10H,11H2,1H3,(H,20,23)(H,21,25)/t18-/m1/s1.
What are the key properties of N-(2-iodophenyl)-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide?
N-(2-iodophenyl)-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide has a molecular weight of 449.25 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-iodophenyl)-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide is sourced from PubChem (CID 2636303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).