2-[(4S)-4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-(2,6-dimethylphenyl)acetamide

C21H22ClN3O3 — CID 2531072

IUPAC2-[(4S)-4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-(2,6-dimethylphenyl)acetamide
SMILESCC[C@@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)Nc2c(C)cccc2C)C1=O
InChIInChI=1S/C21H22ClN3O3/c1-4-21(15-8-10-16(22)11-9-15)19(27)25(20(28)24-21)12-17(26)23-18-13(2)6-5-7-14(18)3/h5-11H,4,12H2,1-3H3,(H,23,26)(H,24,28)/t21-/m0/s1
InChIKeyQHPQPWXXRINYOL-NRFANRHFSA-N
MW399.88 g/mol
LogP3.75
Rot. Bonds5

About 2-[(4S)-4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-(2,6-dimethylphenyl)acetamide

2-[(4S)-4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-(2,6-dimethylphenyl)acetamide (PubChem CID 2531072) has the molecular formula C21H22ClN3O3 and a molecular weight of 399.88 g/mol. Its IUPAC name is 2-[(4S)-4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-(2,6-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[(4S)-4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-(2,6-dimethylphenyl)acetamide
PubChem CID2531072
Molecular FormulaC21H22ClN3O3
Molecular Weight399.88 g/mol
Exact Mass399.13
IUPAC Name2-[(4S)-4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-(2,6-dimethylphenyl)acetamide
SMILESCC[C@@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)Nc2c(C)cccc2C)C1=O
InChIInChI=1S/C21H22ClN3O3/c1-4-21(15-8-10-16(22)11-9-15)19(27)25(20(28)24-21)12-17(26)23-18-13(2)6-5-7-14(18)3/h5-11H,4,12H2,1-3H3,(H,23,26)(H,24,28)/t21-/m0/s1
InChIKeyQHPQPWXXRINYOL-NRFANRHFSA-N
XLogP3.75
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.88
LogP ≤ 53.75
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-chlorophenyl)-2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 7179775
2-[(4R)-4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-naphthalen-1-ylacetamide
CID 41208231
2-[4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide
CID 18165300
2-[4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 18266833
2-[4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-(3,4-difluorophenyl)acetamide
CID 42964377
2-[(4R)-4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 2584670
2-[(4R)-4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-(2-ethoxyphenyl)acetamide
CID 2703164
N-(5-chloro-2-pyridinyl)-2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 51172548
2-[4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-(2-propoxyphenyl)acetamide
CID 24565947
2-[4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide
CID 46606177
2-[4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 42969912
2-[(4S)-4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-(3,4-dimethoxyphenyl)acetamide
CID 2584779

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-(2,6-dimethylphenyl)acetamide?
The IUPAC name of 2-[(4S)-4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-(2,6-dimethylphenyl)acetamide (CID 2531072) is 2-[(4S)-4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-(2,6-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[(4S)-4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-(2,6-dimethylphenyl)acetamide?
The canonical SMILES for 2-[(4S)-4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-(2,6-dimethylphenyl)acetamide is CC[C@@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)Nc2c(C)cccc2C)C1=O.
What is the InChIKey of 2-[(4S)-4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-(2,6-dimethylphenyl)acetamide?
The InChIKey is QHPQPWXXRINYOL-NRFANRHFSA-N. The full InChI is InChI=1S/C21H22ClN3O3/c1-4-21(15-8-10-16(22)11-9-15)19(27)25(20(28)24-21)12-17(26)23-18-13(2)6-5-7-14(18)3/h5-11H,4,12H2,1-3H3,(H,23,26)(H,24,28)/t21-/m0/s1.
What are the key properties of 2-[(4S)-4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-(2,6-dimethylphenyl)acetamide?
2-[(4S)-4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-(2,6-dimethylphenyl)acetamide has a molecular weight of 399.88 g/mol, XLogP of 3.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-(2,6-dimethylphenyl)acetamide is sourced from PubChem (CID 2531072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).