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

C20H18ClN3O4 — CID 4040539

IUPACN-(2-acetylphenyl)-2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCC(=O)c1ccccc1NC(=O)CN1C(=O)NC(C)(c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C20H18ClN3O4/c1-12(25)15-5-3-4-6-16(15)22-17(26)11-24-18(27)20(2,23-19(24)28)13-7-9-14(21)10-8-13/h3-10H,11H2,1-2H3,(H,22,26)(H,23,28)
InChIKeyCPWRVKBLGKIKDM-UHFFFAOYSA-N
MW399.83 g/mol
LogP2.95
Rot. Bonds5

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

N-(2-acetylphenyl)-2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 4040539) has the molecular formula C20H18ClN3O4 and a molecular weight of 399.83 g/mol. Its IUPAC name is N-(2-acetylphenyl)-2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-acetylphenyl)-2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
PubChem CID4040539
Molecular FormulaC20H18ClN3O4
Molecular Weight399.83 g/mol
Exact Mass399.10
IUPAC NameN-(2-acetylphenyl)-2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCC(=O)c1ccccc1NC(=O)CN1C(=O)NC(C)(c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C20H18ClN3O4/c1-12(25)15-5-3-4-6-16(15)22-17(26)11-24-18(27)20(2,23-19(24)28)13-7-9-14(21)10-8-13/h3-10H,11H2,1-2H3,(H,22,26)(H,23,28)
InChIKeyCPWRVKBLGKIKDM-UHFFFAOYSA-N
XLogP2.95
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.83
LogP ≤ 52.95
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-(4-chlorophenyl)-2-[[2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzamide
CID 55442567
2-[(4R)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-methylphenyl)acetamide
CID 2463493
N-(2-acetylphenyl)-2-[(4S)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7180228
2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-propan-2-ylphenyl)acetamide
CID 2705913
N-[2-[(2R)-butan-2-yl]phenyl]-2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7240439
2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide
CID 4664278
2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,5-difluorophenyl)acetamide
CID 7240396
N-(4-chloro-2-fluorophenyl)-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 2580817
N-carbamoyl-2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2691171
2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-methyl-3-nitrophenyl)acetamide
CID 2577122
methyl 2-[[2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzoate
CID 4803850
2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-phenoxyphenyl)acetamide
CID 42964194

Frequently Asked Questions

What is the IUPAC name of N-(2-acetylphenyl)-2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-(2-acetylphenyl)-2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (CID 4040539) is N-(2-acetylphenyl)-2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-(2-acetylphenyl)-2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-(2-acetylphenyl)-2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is CC(=O)c1ccccc1NC(=O)CN1C(=O)NC(C)(c2ccc(Cl)cc2)C1=O.
What is the InChIKey of N-(2-acetylphenyl)-2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The InChIKey is CPWRVKBLGKIKDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O4/c1-12(25)15-5-3-4-6-16(15)22-17(26)11-24-18(27)20(2,23-19(24)28)13-7-9-14(21)10-8-13/h3-10H,11H2,1-2H3,(H,22,26)(H,23,28).
What are the key properties of N-(2-acetylphenyl)-2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
N-(2-acetylphenyl)-2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 399.83 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetylphenyl)-2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 4040539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).