2-[(4S)-4-(3,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(2R)-4-phenylbutan-2-yl]acetamide

C22H23Cl2N3O3 — CID 25496373

IUPAC2-[(4S)-4-(3,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(2R)-4-phenylbutan-2-yl]acetamide
SMILESC[C@H](CCc1ccccc1)NC(=O)CN1C(=O)N[C@@](C)(c2ccc(Cl)c(Cl)c2)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)16-10-11-17(23)18(24)12-16/h3-7,10-12,14H,8-9,13H2,1-2H3,(H,25,28)(H,26,30)/t14-,22+/m1/s1
InChIKeyXOMQLDQNUHEJBY-PEBXRYMYSA-N
MW448.35 g/mol
LogP3.90
Rot. Bonds7

About 2-[(4S)-4-(3,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(2R)-4-phenylbutan-2-yl]acetamide

2-[(4S)-4-(3,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(2R)-4-phenylbutan-2-yl]acetamide (PubChem CID 25496373) has the molecular formula C22H23Cl2N3O3 and a molecular weight of 448.35 g/mol. Its IUPAC name is 2-[(4S)-4-(3,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(2R)-4-phenylbutan-2-yl]acetamide.

Molecular Properties

Compound Name2-[(4S)-4-(3,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(2R)-4-phenylbutan-2-yl]acetamide
PubChem CID25496373
Molecular FormulaC22H23Cl2N3O3
Molecular Weight448.35 g/mol
Exact Mass447.11
IUPAC Name2-[(4S)-4-(3,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(2R)-4-phenylbutan-2-yl]acetamide
SMILESC[C@H](CCc1ccccc1)NC(=O)CN1C(=O)N[C@@](C)(c2ccc(Cl)c(Cl)c2)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)16-10-11-17(23)18(24)12-16/h3-7,10-12,14H,8-9,13H2,1-2H3,(H,25,28)(H,26,30)/t14-,22+/m1/s1
InChIKeyXOMQLDQNUHEJBY-PEBXRYMYSA-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'}

Analyze 2-[(4S)-4-(3,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(2R)-4-phenylbutan-2-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-phenylbutan-2-yl)acetamide
CID 4804703
2-[4-(3,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide
CID 46638763
2-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 7639797
2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 2708425
N-[(2R)-5-methylhexan-2-yl]-2-[(4R)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 40748919
2-[4-(3,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[1-(4-fluorophenyl)-2-methylpropyl]acetamide
CID 46670398
N-[(2R)-butan-2-yl]-2-[(4R)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2705949
N-[(2S)-butan-2-yl]-2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2705946
2-[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(5-methylhexan-2-yl)acetamide
CID 24520507
2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 7595825
2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-(4-phenylbutan-2-yl)acetamide
CID 4810168
2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 2578344

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-4-(3,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(2R)-4-phenylbutan-2-yl]acetamide?
The IUPAC name of 2-[(4S)-4-(3,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(2R)-4-phenylbutan-2-yl]acetamide (CID 25496373) is 2-[(4S)-4-(3,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(2R)-4-phenylbutan-2-yl]acetamide.
What is the SMILES notation for 2-[(4S)-4-(3,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(2R)-4-phenylbutan-2-yl]acetamide?
The canonical SMILES for 2-[(4S)-4-(3,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(2R)-4-phenylbutan-2-yl]acetamide is C[C@H](CCc1ccccc1)NC(=O)CN1C(=O)N[C@@](C)(c2ccc(Cl)c(Cl)c2)C1=O.
What is the InChIKey of 2-[(4S)-4-(3,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(2R)-4-phenylbutan-2-yl]acetamide?
The InChIKey is XOMQLDQNUHEJBY-PEBXRYMYSA-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)16-10-11-17(23)18(24)12-16/h3-7,10-12,14H,8-9,13H2,1-2H3,(H,25,28)(H,26,30)/t14-,22+/m1/s1.
What are the key properties of 2-[(4S)-4-(3,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(2R)-4-phenylbutan-2-yl]acetamide?
2-[(4S)-4-(3,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(2R)-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-[(4S)-4-(3,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(2R)-4-phenylbutan-2-yl]acetamide is sourced from PubChem (CID 25496373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).