2-[4-(2-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-chlorophenyl)acetamide

C18H15BrClN3O3 — CID 55304277

IUPAC2-[4-(2-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-chlorophenyl)acetamide
SMILESCC1(c2ccccc2Br)NC(=O)N(CC(=O)Nc2ccccc2Cl)C1=O
InChIInChI=1S/C18H15BrClN3O3/c1-18(11-6-2-3-7-12(11)19)16(25)23(17(26)22-18)10-15(24)21-14-9-5-4-8-13(14)20/h2-9H,10H2,1H3,(H,21,24)(H,22,26)
InChIKeySWCLZVHQNVTDEX-UHFFFAOYSA-N
MW436.69 g/mol
LogP3.51
Rot. Bonds4

About 2-[4-(2-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-chlorophenyl)acetamide

2-[4-(2-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-chlorophenyl)acetamide (PubChem CID 55304277) has the molecular formula C18H15BrClN3O3 and a molecular weight of 436.69 g/mol. Its IUPAC name is 2-[4-(2-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-(2-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-chlorophenyl)acetamide
PubChem CID55304277
Molecular FormulaC18H15BrClN3O3
Molecular Weight436.69 g/mol
Exact Mass435.00
IUPAC Name2-[4-(2-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-chlorophenyl)acetamide
SMILESCC1(c2ccccc2Br)NC(=O)N(CC(=O)Nc2ccccc2Cl)C1=O
InChIInChI=1S/C18H15BrClN3O3/c1-18(11-6-2-3-7-12(11)19)16(25)23(17(26)22-18)10-15(24)21-14-9-5-4-8-13(14)20/h2-9H,10H2,1H3,(H,21,24)(H,22,26)
InChIKeySWCLZVHQNVTDEX-UHFFFAOYSA-N
XLogP3.51
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.69
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-chlorophenyl)acetamide?
The IUPAC name of 2-[4-(2-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-chlorophenyl)acetamide (CID 55304277) is 2-[4-(2-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-chlorophenyl)acetamide.
What is the SMILES notation for 2-[4-(2-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-chlorophenyl)acetamide?
The canonical SMILES for 2-[4-(2-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-chlorophenyl)acetamide is CC1(c2ccccc2Br)NC(=O)N(CC(=O)Nc2ccccc2Cl)C1=O.
What is the InChIKey of 2-[4-(2-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-chlorophenyl)acetamide?
The InChIKey is SWCLZVHQNVTDEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrClN3O3/c1-18(11-6-2-3-7-12(11)19)16(25)23(17(26)22-18)10-15(24)21-14-9-5-4-8-13(14)20/h2-9H,10H2,1H3,(H,21,24)(H,22,26).
What are the key properties of 2-[4-(2-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-chlorophenyl)acetamide?
2-[4-(2-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-chlorophenyl)acetamide has a molecular weight of 436.69 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-chlorophenyl)acetamide is sourced from PubChem (CID 55304277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).