N-(3-acetylphenyl)-2-[(4S)-4-(2-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide

C20H18BrN3O4 — CID 2702611

IUPACN-(3-acetylphenyl)-2-[(4S)-4-(2-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCC(=O)c1cccc(NC(=O)CN2C(=O)N[C@@](C)(c3ccccc3Br)C2=O)c1
InChIInChI=1S/C20H18BrN3O4/c1-12(25)13-6-5-7-14(10-13)22-17(26)11-24-18(27)20(2,23-19(24)28)15-8-3-4-9-16(15)21/h3-10H,11H2,1-2H3,(H,22,26)(H,23,28)/t20-/m0/s1
InChIKeyFIPNCFBEOLJFCF-FQEVSTJZSA-N
MW444.29 g/mol
LogP3.06
Rot. Bonds5

About N-(3-acetylphenyl)-2-[(4S)-4-(2-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide

N-(3-acetylphenyl)-2-[(4S)-4-(2-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 2702611) has the molecular formula C20H18BrN3O4 and a molecular weight of 444.29 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-[(4S)-4-(2-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-[(4S)-4-(2-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
PubChem CID2702611
Molecular FormulaC20H18BrN3O4
Molecular Weight444.29 g/mol
Exact Mass443.05
IUPAC NameN-(3-acetylphenyl)-2-[(4S)-4-(2-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCC(=O)c1cccc(NC(=O)CN2C(=O)N[C@@](C)(c3ccccc3Br)C2=O)c1
InChIInChI=1S/C20H18BrN3O4/c1-12(25)13-6-5-7-14(10-13)22-17(26)11-24-18(27)20(2,23-19(24)28)15-8-3-4-9-16(15)21/h3-10H,11H2,1-2H3,(H,22,26)(H,23,28)/t20-/m0/s1
InChIKeyFIPNCFBEOLJFCF-FQEVSTJZSA-N
XLogP3.06
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.29
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-acetylphenyl)-2-[4-(2-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 17498568
N-(3-acetylphenyl)-2-[(4R)-4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7180056
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-(3-nitrophenyl)acetamide
CID 24654212
2-[(4R)-4-(2-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3,5-dimethoxyphenyl)acetamide
CID 2702725
N-(3-acetylphenyl)-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 2547789
2-[(4S)-4-(2-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 2584092
N-(3-acetylphenyl)-2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide
CID 7595727
2-[(4S)-4-(2-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propan-2-ylacetamide
CID 2584097
2-[4-(2-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-chlorophenyl)acetamide
CID 55304277
N-(3-chlorophenyl)-2-[(4R)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2702241
N-(4-acetylphenyl)-2-[4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 17397205

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-[(4S)-4-(2-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-(3-acetylphenyl)-2-[(4S)-4-(2-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (CID 2702611) is N-(3-acetylphenyl)-2-[(4S)-4-(2-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-[(4S)-4-(2-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-(3-acetylphenyl)-2-[(4S)-4-(2-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is CC(=O)c1cccc(NC(=O)CN2C(=O)N[C@@](C)(c3ccccc3Br)C2=O)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-[(4S)-4-(2-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The InChIKey is FIPNCFBEOLJFCF-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H18BrN3O4/c1-12(25)13-6-5-7-14(10-13)22-17(26)11-24-18(27)20(2,23-19(24)28)15-8-3-4-9-16(15)21/h3-10H,11H2,1-2H3,(H,22,26)(H,23,28)/t20-/m0/s1.
What are the key properties of N-(3-acetylphenyl)-2-[(4S)-4-(2-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
N-(3-acetylphenyl)-2-[(4S)-4-(2-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 444.29 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-[(4S)-4-(2-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 2702611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).