2-[(4S)-4-(2-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propan-2-ylacetamide

C15H18BrN3O3 — CID 2584097

IUPAC2-[(4S)-4-(2-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN1C(=O)N[C@@](C)(c2ccccc2Br)C1=O
InChIInChI=1S/C15H18BrN3O3/c1-9(2)17-12(20)8-19-13(21)15(3,18-14(19)22)10-6-4-5-7-11(10)16/h4-7,9H,8H2,1-3H3,(H,17,20)(H,18,22)/t15-/m0/s1
InChIKeyKMNCAUVQVUIQCG-HNNXBMFYSA-N
MW368.23 g/mol
LogP1.74
Rot. Bonds4

About 2-[(4S)-4-(2-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propan-2-ylacetamide

2-[(4S)-4-(2-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propan-2-ylacetamide (PubChem CID 2584097) has the molecular formula C15H18BrN3O3 and a molecular weight of 368.23 g/mol. Its IUPAC name is 2-[(4S)-4-(2-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(4S)-4-(2-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propan-2-ylacetamide
PubChem CID2584097
Molecular FormulaC15H18BrN3O3
Molecular Weight368.23 g/mol
Exact Mass367.05
IUPAC Name2-[(4S)-4-(2-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN1C(=O)N[C@@](C)(c2ccccc2Br)C1=O
InChIInChI=1S/C15H18BrN3O3/c1-9(2)17-12(20)8-19-13(21)15(3,18-14(19)22)10-6-4-5-7-11(10)16/h4-7,9H,8H2,1-3H3,(H,17,20)(H,18,22)/t15-/m0/s1
InChIKeyKMNCAUVQVUIQCG-HNNXBMFYSA-N
XLogP1.74
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.23
LogP ≤ 51.74
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-(4-acetamidophenyl)-2-[(4R)-4-(2-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 92786642
2-[4-(2-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-chlorophenyl)acetamide
CID 55304277
N-(3-acetylphenyl)-2-[(4S)-4-(2-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2702611
N-(3-acetylphenyl)-2-[4-(2-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 17498568
2-[4-(2-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(2-fluorophenyl)methyl]acetamide
CID 55399827
2-[(4S)-4-(2-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(1-cyanocyclopentyl)acetamide
CID 40942263
2-[4-(2-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-phenylphenyl)acetamide
CID 55304300
2-[(4R)-4-(2-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3,5-dimethoxyphenyl)acetamide
CID 2702725
2-[4-(2-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-nitrophenyl)acetamide
CID 24654212
methyl 4-[[[2-[4-(2-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]methyl]benzoate
CID 47093761
N-butan-2-yl-2-(4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 4790385
N-[(2S)-butan-2-yl]-2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2702159

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-4-(2-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(4S)-4-(2-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propan-2-ylacetamide (CID 2584097) is 2-[(4S)-4-(2-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(4S)-4-(2-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(4S)-4-(2-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propan-2-ylacetamide is CC(C)NC(=O)CN1C(=O)N[C@@](C)(c2ccccc2Br)C1=O.
What is the InChIKey of 2-[(4S)-4-(2-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propan-2-ylacetamide?
The InChIKey is KMNCAUVQVUIQCG-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H18BrN3O3/c1-9(2)17-12(20)8-19-13(21)15(3,18-14(19)22)10-6-4-5-7-11(10)16/h4-7,9H,8H2,1-3H3,(H,17,20)(H,18,22)/t15-/m0/s1.
What are the key properties of 2-[(4S)-4-(2-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propan-2-ylacetamide?
2-[(4S)-4-(2-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propan-2-ylacetamide has a molecular weight of 368.23 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-4-(2-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 2584097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).