2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-phenylbutan-2-yl)acetamide

C22H23Cl2N3O3 — CID 4804703

IUPAC2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-phenylbutan-2-yl)acetamide
SMILESCC(CCc1ccccc1)NC(=O)CN1C(=O)NC(C)(c2ccc(Cl)cc2Cl)C1=O
InChIInChI=1S/C22H23Cl2N3O3/c1-14(8-9-15-6-4-3-5-7-15)25-19(28)13-27-20(29)22(2,26-21(27)30)17-11-10-16(23)12-18(17)24/h3-7,10-12,14H,8-9,13H2,1-2H3,(H,25,28)(H,26,30)
InChIKeyGGNCTWBCHARDTA-UHFFFAOYSA-N
MW448.35 g/mol
LogP3.90
Rot. Bonds7

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

2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-phenylbutan-2-yl)acetamide (PubChem CID 4804703) has the molecular formula C22H23Cl2N3O3 and a molecular weight of 448.35 g/mol. Its IUPAC name is 2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-phenylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-phenylbutan-2-yl)acetamide
PubChem CID4804703
Molecular FormulaC22H23Cl2N3O3
Molecular Weight448.35 g/mol
Exact Mass447.11
IUPAC Name2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-phenylbutan-2-yl)acetamide
SMILESCC(CCc1ccccc1)NC(=O)CN1C(=O)NC(C)(c2ccc(Cl)cc2Cl)C1=O
InChIInChI=1S/C22H23Cl2N3O3/c1-14(8-9-15-6-4-3-5-7-15)25-19(28)13-27-20(29)22(2,26-21(27)30)17-11-10-16(23)12-18(17)24/h3-7,10-12,14H,8-9,13H2,1-2H3,(H,25,28)(H,26,30)
InChIKeyGGNCTWBCHARDTA-UHFFFAOYSA-N
XLogP3.90
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.35
LogP ≤ 53.90
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

2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-pentan-2-ylacetamide
CID 4804687
N-[(2S)-butan-2-yl]-2-[(4S)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2702977
2-[(4S)-4-(3,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 25496373
2-[(4S)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(1S)-1-(furan-2-yl)ethyl]acetamide
CID 8570970
N-(2-chlorophenyl)-2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 4966212
N-[(2S)-butan-2-yl]-2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2702159
N-butan-2-yl-2-[4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 4799733
2-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 7639797
N-benzyl-2-[(4R)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide
CID 2703019
2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide
CID 4532304
2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-ethyl-6-methylphenyl)acetamide
CID 4804690
2-[(4R)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 41088760

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-phenylbutan-2-yl)acetamide?
The IUPAC name of 2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-phenylbutan-2-yl)acetamide (CID 4804703) is 2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-phenylbutan-2-yl)acetamide.
What is the SMILES notation for 2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-phenylbutan-2-yl)acetamide?
The canonical SMILES for 2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-phenylbutan-2-yl)acetamide is CC(CCc1ccccc1)NC(=O)CN1C(=O)NC(C)(c2ccc(Cl)cc2Cl)C1=O.
What is the InChIKey of 2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-phenylbutan-2-yl)acetamide?
The InChIKey is GGNCTWBCHARDTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23Cl2N3O3/c1-14(8-9-15-6-4-3-5-7-15)25-19(28)13-27-20(29)22(2,26-21(27)30)17-11-10-16(23)12-18(17)24/h3-7,10-12,14H,8-9,13H2,1-2H3,(H,25,28)(H,26,30).
What are the key properties of 2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-phenylbutan-2-yl)acetamide?
2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-phenylbutan-2-yl)acetamide has a molecular weight of 448.35 g/mol, XLogP of 3.90, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-phenylbutan-2-yl)acetamide is sourced from PubChem (CID 4804703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).