2-[(4S)-4-butyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-[(2,4-dichlorophenyl)methyl]acetamide

C22H23Cl2N3O3 — CID 2481522

IUPAC2-[(4S)-4-butyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-[(2,4-dichlorophenyl)methyl]acetamide
SMILESCCCC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)NCc2ccc(Cl)cc2Cl)C1=O
InChIInChI=1S/C22H23Cl2N3O3/c1-2-3-11-22(16-7-5-4-6-8-16)20(29)27(21(30)26-22)14-19(28)25-13-15-9-10-17(23)12-18(15)24/h4-10,12H,2-3,11,13-14H2,1H3,(H,25,28)(H,26,30)/t22-/m0/s1
InChIKeyRDBIWBYMQZAQFO-QFIPXVFZSA-N
MW448.35 g/mol
LogP4.25
Rot. Bonds8

About 2-[(4S)-4-butyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-[(2,4-dichlorophenyl)methyl]acetamide

2-[(4S)-4-butyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-[(2,4-dichlorophenyl)methyl]acetamide (PubChem CID 2481522) has the molecular formula C22H23Cl2N3O3 and a molecular weight of 448.35 g/mol. Its IUPAC name is 2-[(4S)-4-butyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-[(2,4-dichlorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[(4S)-4-butyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-[(2,4-dichlorophenyl)methyl]acetamide
PubChem CID2481522
Molecular FormulaC22H23Cl2N3O3
Molecular Weight448.35 g/mol
Exact Mass447.11
IUPAC Name2-[(4S)-4-butyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-[(2,4-dichlorophenyl)methyl]acetamide
SMILESCCCC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)NCc2ccc(Cl)cc2Cl)C1=O
InChIInChI=1S/C22H23Cl2N3O3/c1-2-3-11-22(16-7-5-4-6-8-16)20(29)27(21(30)26-22)14-19(28)25-13-15-9-10-17(23)12-18(15)24/h4-10,12H,2-3,11,13-14H2,1H3,(H,25,28)(H,26,30)/t22-/m0/s1
InChIKeyRDBIWBYMQZAQFO-QFIPXVFZSA-N
XLogP4.25
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.35
LogP ≤ 54.25
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-[(2,4-dichlorophenyl)methyl]-2-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7916685
N-[(3-chlorophenyl)methyl]-2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 7242669
N-(3-chlorophenyl)-2-[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetamide
CID 2585526
2-(4-butyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-naphthalen-1-ylacetamide
CID 55326957
2-(4-butyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(2-methoxyethylcarbamoyl)acetamide
CID 55326771
2-[(4S)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-phenylethyl)acetamide
CID 7622192
2-[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-[(2S)-2-ethylhexyl]acetamide
CID 8572517
N-(2-bromo-4-methylphenyl)-2-(4-butyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 55326971
N-(2-chloro-4-fluorophenyl)-2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetamide
CID 2703713
N-(4-chlorophenyl)-2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 7179775
N-benzhydryl-2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetamide
CID 25340413
2-[4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide
CID 18165300

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-4-butyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-[(2,4-dichlorophenyl)methyl]acetamide?
The IUPAC name of 2-[(4S)-4-butyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-[(2,4-dichlorophenyl)methyl]acetamide (CID 2481522) is 2-[(4S)-4-butyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-[(2,4-dichlorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[(4S)-4-butyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-[(2,4-dichlorophenyl)methyl]acetamide?
The canonical SMILES for 2-[(4S)-4-butyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-[(2,4-dichlorophenyl)methyl]acetamide is CCCC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)NCc2ccc(Cl)cc2Cl)C1=O.
What is the InChIKey of 2-[(4S)-4-butyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-[(2,4-dichlorophenyl)methyl]acetamide?
The InChIKey is RDBIWBYMQZAQFO-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H23Cl2N3O3/c1-2-3-11-22(16-7-5-4-6-8-16)20(29)27(21(30)26-22)14-19(28)25-13-15-9-10-17(23)12-18(15)24/h4-10,12H,2-3,11,13-14H2,1H3,(H,25,28)(H,26,30)/t22-/m0/s1.
What are the key properties of 2-[(4S)-4-butyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-[(2,4-dichlorophenyl)methyl]acetamide?
2-[(4S)-4-butyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-[(2,4-dichlorophenyl)methyl]acetamide has a molecular weight of 448.35 g/mol, XLogP of 4.25, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-4-butyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-[(2,4-dichlorophenyl)methyl]acetamide is sourced from PubChem (CID 2481522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).