N-[2-[(2R)-butan-2-yl]phenyl]-2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide

C22H24ClN3O3 — CID 7240439

IUPACN-[2-[(2R)-butan-2-yl]phenyl]-2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCC[C@@H](C)c1ccccc1NC(=O)CN1C(=O)N[C@@](C)(c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C22H24ClN3O3/c1-4-14(2)17-7-5-6-8-18(17)24-19(27)13-26-20(28)22(3,25-21(26)29)15-9-11-16(23)12-10-15/h5-12,14H,4,13H2,1-3H3,(H,24,27)(H,25,29)/t14-,22+/m1/s1
InChIKeyLLHNVQXIWDAHQJ-PEBXRYMYSA-N
MW413.91 g/mol
LogP4.26
Rot. Bonds6

About N-[2-[(2R)-butan-2-yl]phenyl]-2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide

N-[2-[(2R)-butan-2-yl]phenyl]-2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 7240439) has the molecular formula C22H24ClN3O3 and a molecular weight of 413.91 g/mol. Its IUPAC name is N-[2-[(2R)-butan-2-yl]phenyl]-2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-[(2R)-butan-2-yl]phenyl]-2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
PubChem CID7240439
Molecular FormulaC22H24ClN3O3
Molecular Weight413.91 g/mol
Exact Mass413.15
IUPAC NameN-[2-[(2R)-butan-2-yl]phenyl]-2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCC[C@@H](C)c1ccccc1NC(=O)CN1C(=O)N[C@@](C)(c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C22H24ClN3O3/c1-4-14(2)17-7-5-6-8-18(17)24-19(27)13-26-20(28)22(3,25-21(26)29)15-9-11-16(23)12-10-15/h5-12,14H,4,13H2,1-3H3,(H,24,27)(H,25,29)/t14-,22+/m1/s1
InChIKeyLLHNVQXIWDAHQJ-PEBXRYMYSA-N
XLogP4.26
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.91
LogP ≤ 54.26
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-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-propan-2-ylphenyl)acetamide
CID 2705913
2-[(4R)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-methylphenyl)acetamide
CID 2463493
2-[(4R)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-[(2S)-butan-2-yl]phenyl]acetamide
CID 7692093
N-(4-butan-2-ylphenyl)-2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 3501889
N-(2-acetylphenyl)-2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 4040539
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
N-[2-[(2R)-butan-2-yl]phenyl]-2-[(4R)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7181349
2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-pentan-3-ylacetamide
CID 2705958
2-[4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]-N-(2-methylphenyl)acetamide
CID 78509718
N-[2-[(2R)-butan-2-yl]phenyl]-2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetamide
CID 7240543
2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide
CID 4664278

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2R)-butan-2-yl]phenyl]-2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-[2-[(2R)-butan-2-yl]phenyl]-2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (CID 7240439) is N-[2-[(2R)-butan-2-yl]phenyl]-2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-[2-[(2R)-butan-2-yl]phenyl]-2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-[2-[(2R)-butan-2-yl]phenyl]-2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is CC[C@@H](C)c1ccccc1NC(=O)CN1C(=O)N[C@@](C)(c2ccc(Cl)cc2)C1=O.
What is the InChIKey of N-[2-[(2R)-butan-2-yl]phenyl]-2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The InChIKey is LLHNVQXIWDAHQJ-PEBXRYMYSA-N. The full InChI is InChI=1S/C22H24ClN3O3/c1-4-14(2)17-7-5-6-8-18(17)24-19(27)13-26-20(28)22(3,25-21(26)29)15-9-11-16(23)12-10-15/h5-12,14H,4,13H2,1-3H3,(H,24,27)(H,25,29)/t14-,22+/m1/s1.
What are the key properties of N-[2-[(2R)-butan-2-yl]phenyl]-2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
N-[2-[(2R)-butan-2-yl]phenyl]-2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 413.91 g/mol, XLogP of 4.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2R)-butan-2-yl]phenyl]-2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 7240439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).