N-(2-chloro-4-methylphenyl)-2-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide

C21H22ClN3O3 — CID 7170941

IUPACN-(2-chloro-4-methylphenyl)-2-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
SMILESCc1ccc(NC(=O)CN2C(=O)N[C@](C)(CCc3ccccc3)C2=O)c(Cl)c1
InChIInChI=1S/C21H22ClN3O3/c1-14-8-9-17(16(22)12-14)23-18(26)13-25-19(27)21(2,24-20(25)28)11-10-15-6-4-3-5-7-15/h3-9,12H,10-11,13H2,1-2H3,(H,23,26)(H,24,28)/t21-/m1/s1
InChIKeyUEBQGCWATOEXKR-OAQYLSRUSA-N
MW399.88 g/mol
LogP3.53
Rot. Bonds6

About N-(2-chloro-4-methylphenyl)-2-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide

N-(2-chloro-4-methylphenyl)-2-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide (PubChem CID 7170941) has the molecular formula C21H22ClN3O3 and a molecular weight of 399.88 g/mol. Its IUPAC name is N-(2-chloro-4-methylphenyl)-2-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-chloro-4-methylphenyl)-2-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
PubChem CID7170941
Molecular FormulaC21H22ClN3O3
Molecular Weight399.88 g/mol
Exact Mass399.13
IUPAC NameN-(2-chloro-4-methylphenyl)-2-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
SMILESCc1ccc(NC(=O)CN2C(=O)N[C@](C)(CCc3ccccc3)C2=O)c(Cl)c1
InChIInChI=1S/C21H22ClN3O3/c1-14-8-9-17(16(22)12-14)23-18(26)13-25-19(27)21(2,24-20(25)28)11-10-15-6-4-3-5-7-15/h3-9,12H,10-11,13H2,1-2H3,(H,23,26)(H,24,28)/t21-/m1/s1
InChIKeyUEBQGCWATOEXKR-OAQYLSRUSA-N
XLogP3.53
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.88
LogP ≤ 53.53
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)-2-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 2449403
2-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-(2-methylsulfanylphenyl)acetamide
CID 7170984
N-(5-chloro-2-pyrrolidin-1-ylphenyl)-2-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 40975116
2-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-(2-phenylethyl)acetamide
CID 7639817
N-(3-fluoro-4-methylphenyl)-2-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 16544949
2-[(4R)-4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-methylphenyl)acetamide
CID 8507105
2-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 7639797
2-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-(3-nitrophenyl)acetamide
CID 9040652
N-(2-methyl-1,3-benzoxazol-5-yl)-2-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 40856002
N-(2-methoxydibenzofuran-3-yl)-2-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 41144381
N-(2-methoxydibenzofuran-3-yl)-2-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 41144382
N-(2-bromo-4-methylphenyl)-2-(4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 42964411

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylphenyl)-2-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide?
The IUPAC name of N-(2-chloro-4-methylphenyl)-2-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide (CID 7170941) is N-(2-chloro-4-methylphenyl)-2-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide.
What is the SMILES notation for N-(2-chloro-4-methylphenyl)-2-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide?
The canonical SMILES for N-(2-chloro-4-methylphenyl)-2-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide is Cc1ccc(NC(=O)CN2C(=O)N[C@](C)(CCc3ccccc3)C2=O)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4-methylphenyl)-2-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide?
The InChIKey is UEBQGCWATOEXKR-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H22ClN3O3/c1-14-8-9-17(16(22)12-14)23-18(26)13-25-19(27)21(2,24-20(25)28)11-10-15-6-4-3-5-7-15/h3-9,12H,10-11,13H2,1-2H3,(H,23,26)(H,24,28)/t21-/m1/s1.
What are the key properties of N-(2-chloro-4-methylphenyl)-2-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide?
N-(2-chloro-4-methylphenyl)-2-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide has a molecular weight of 399.88 g/mol, XLogP of 3.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methylphenyl)-2-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide is sourced from PubChem (CID 7170941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).