2-[4-(2-chloro-4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(2-methylcyclohexyl)carbamoyl]acetamide

C20H24ClFN4O4 — CID 56520001

IUPAC2-[4-(2-chloro-4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(2-methylcyclohexyl)carbamoyl]acetamide
SMILESCC1CCCCC1NC(=O)NC(=O)CN1C(=O)NC(C)(c2ccc(F)cc2Cl)C1=O
InChIInChI=1S/C20H24ClFN4O4/c1-11-5-3-4-6-15(11)23-18(29)24-16(27)10-26-17(28)20(2,25-19(26)30)13-8-7-12(22)9-14(13)21/h7-9,11,15H,3-6,10H2,1-2H3,(H,25,30)(H2,23,24,27,29)
InChIKeyULCWCPUMJVSJRM-UHFFFAOYSA-N
MW438.89 g/mol
LogP2.65
Rot. Bonds4

About 2-[4-(2-chloro-4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(2-methylcyclohexyl)carbamoyl]acetamide

2-[4-(2-chloro-4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(2-methylcyclohexyl)carbamoyl]acetamide (PubChem CID 56520001) has the molecular formula C20H24ClFN4O4 and a molecular weight of 438.89 g/mol. Its IUPAC name is 2-[4-(2-chloro-4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(2-methylcyclohexyl)carbamoyl]acetamide.

Molecular Properties

Compound Name2-[4-(2-chloro-4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(2-methylcyclohexyl)carbamoyl]acetamide
PubChem CID56520001
Molecular FormulaC20H24ClFN4O4
Molecular Weight438.89 g/mol
Exact Mass438.15
IUPAC Name2-[4-(2-chloro-4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(2-methylcyclohexyl)carbamoyl]acetamide
SMILESCC1CCCCC1NC(=O)NC(=O)CN1C(=O)NC(C)(c2ccc(F)cc2Cl)C1=O
InChIInChI=1S/C20H24ClFN4O4/c1-11-5-3-4-6-15(11)23-18(29)24-16(27)10-26-17(28)20(2,25-19(26)30)13-8-7-12(22)9-14(13)21/h7-9,11,15H,3-6,10H2,1-2H3,(H,25,30)(H2,23,24,27,29)
InChIKeyULCWCPUMJVSJRM-UHFFFAOYSA-N
XLogP2.65
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.89
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(2-methylcyclohexyl)carbamoyl]acetamide
CID 55374711
2-[(4R)-4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CID 7801402
2-[(4S)-4-(2-chloro-4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-cyclopropylacetamide
CID 95148221
2-[4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(cyclohexylcarbamoyl)acetamide
CID 4813035
2-[(4S)-2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl]-N-[[(1R,2S)-2-methylcyclohexyl]carbamoyl]acetamide
CID 7772551
2-[4-(2-chloro-4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(1-phenylcyclopropyl)methyl]acetamide
CID 56519734
2-[3-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(2-methylcyclohexyl)carbamoyl]acetamide
CID 46810709
2-[4-(2-chloro-4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-naphthalen-1-ylacetamide
CID 56518590
2-[(4R)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-cyclopentylacetamide
CID 2711182
2-[4-(2-chloro-4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-ethylphenyl)acetamide
CID 56518341
2-[4-(2-chloro-4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 56520130
ethyl 1-[2-[4-(2-chloro-4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]piperidine-3-carboxylate
CID 56520131

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-chloro-4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(2-methylcyclohexyl)carbamoyl]acetamide?
The IUPAC name of 2-[4-(2-chloro-4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(2-methylcyclohexyl)carbamoyl]acetamide (CID 56520001) is 2-[4-(2-chloro-4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(2-methylcyclohexyl)carbamoyl]acetamide.
What is the SMILES notation for 2-[4-(2-chloro-4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(2-methylcyclohexyl)carbamoyl]acetamide?
The canonical SMILES for 2-[4-(2-chloro-4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(2-methylcyclohexyl)carbamoyl]acetamide is CC1CCCCC1NC(=O)NC(=O)CN1C(=O)NC(C)(c2ccc(F)cc2Cl)C1=O.
What is the InChIKey of 2-[4-(2-chloro-4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(2-methylcyclohexyl)carbamoyl]acetamide?
The InChIKey is ULCWCPUMJVSJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClFN4O4/c1-11-5-3-4-6-15(11)23-18(29)24-16(27)10-26-17(28)20(2,25-19(26)30)13-8-7-12(22)9-14(13)21/h7-9,11,15H,3-6,10H2,1-2H3,(H,25,30)(H2,23,24,27,29).
What are the key properties of 2-[4-(2-chloro-4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(2-methylcyclohexyl)carbamoyl]acetamide?
2-[4-(2-chloro-4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(2-methylcyclohexyl)carbamoyl]acetamide has a molecular weight of 438.89 g/mol, XLogP of 2.65, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-chloro-4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(2-methylcyclohexyl)carbamoyl]acetamide is sourced from PubChem (CID 56520001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).