N-[4-[2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]phenyl]propanamide

C21H20ClN3O4 — CID 7180488

IUPACN-[4-[2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(C(=O)CN2C(=O)N[C@@](C)(c3ccccc3Cl)C2=O)cc1
InChIInChI=1S/C21H20ClN3O4/c1-3-18(27)23-14-10-8-13(9-11-14)17(26)12-25-19(28)21(2,24-20(25)29)15-6-4-5-7-16(15)22/h4-11H,3,12H2,1-2H3,(H,23,27)(H,24,29)/t21-/m0/s1
InChIKeyWNNBPUHNBLSPFY-NRFANRHFSA-N
MW413.86 g/mol
LogP3.34
Rot. Bonds6

About N-[4-[2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]phenyl]propanamide

N-[4-[2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]phenyl]propanamide (PubChem CID 7180488) has the molecular formula C21H20ClN3O4 and a molecular weight of 413.86 g/mol. Its IUPAC name is N-[4-[2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]phenyl]propanamide.

Molecular Properties

Compound NameN-[4-[2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]phenyl]propanamide
PubChem CID7180488
Molecular FormulaC21H20ClN3O4
Molecular Weight413.86 g/mol
Exact Mass413.11
IUPAC NameN-[4-[2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(C(=O)CN2C(=O)N[C@@](C)(c3ccccc3Cl)C2=O)cc1
InChIInChI=1S/C21H20ClN3O4/c1-3-18(27)23-14-10-8-13(9-11-14)17(26)12-25-19(28)21(2,24-20(25)29)15-6-4-5-7-16(15)22/h4-11H,3,12H2,1-2H3,(H,23,27)(H,24,29)/t21-/m0/s1
InChIKeyWNNBPUHNBLSPFY-NRFANRHFSA-N
XLogP3.34
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.86
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze N-[4-[2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]phenyl]propanamide 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

N-(4-acetylphenyl)-2-[4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 17397205
N-(4-acetylphenyl)-2-[(4R)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2583251
N-[4-[2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]phenyl]propanamide
CID 4814138
2-[(4R)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-ethylphenyl)acetamide
CID 2702247
N-[4-[2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]phenyl]propanamide
CID 7178363
N-[4-[2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]phenyl]propanamide
CID 7178360
N-(3-chlorophenyl)-2-[(4R)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2702241
3-methyl-N-[4-[2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetyl]phenyl]butanamide
CID 7171116
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-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide
CID 2582952
2-[4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 167909134

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]phenyl]propanamide?
The IUPAC name of N-[4-[2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]phenyl]propanamide (CID 7180488) is N-[4-[2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]phenyl]propanamide.
What is the SMILES notation for N-[4-[2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]phenyl]propanamide?
The canonical SMILES for N-[4-[2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]phenyl]propanamide is CCC(=O)Nc1ccc(C(=O)CN2C(=O)N[C@@](C)(c3ccccc3Cl)C2=O)cc1.
What is the InChIKey of N-[4-[2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]phenyl]propanamide?
The InChIKey is WNNBPUHNBLSPFY-NRFANRHFSA-N. The full InChI is InChI=1S/C21H20ClN3O4/c1-3-18(27)23-14-10-8-13(9-11-14)17(26)12-25-19(28)21(2,24-20(25)29)15-6-4-5-7-16(15)22/h4-11H,3,12H2,1-2H3,(H,23,27)(H,24,29)/t21-/m0/s1.
What are the key properties of N-[4-[2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]phenyl]propanamide?
N-[4-[2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]phenyl]propanamide has a molecular weight of 413.86 g/mol, XLogP of 3.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]phenyl]propanamide is sourced from PubChem (CID 7180488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).