2-[(4S)-4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(1R)-1-naphthalen-2-ylethyl]acetamide

C24H21F2N3O3 — CID 92786827

IUPAC2-[(4S)-4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(1R)-1-naphthalen-2-ylethyl]acetamide
SMILESC[C@@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccc(F)c(F)c2)C1=O)c1ccc2ccccc2c1
InChIInChI=1S/C24H21F2N3O3/c1-14(16-8-7-15-5-3-4-6-17(15)11-16)27-21(30)13-29-22(31)24(2,28-23(29)32)18-9-10-19(25)20(26)12-18/h3-12,14H,13H2,1-2H3,(H,27,30)(H,28,32)/t14-,24+/m1/s1
InChIKeyMFJMITLALOOXQV-SHACYNPGSA-N
MW437.45 g/mol
LogP3.76
Rot. Bonds5

About 2-[(4S)-4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(1R)-1-naphthalen-2-ylethyl]acetamide

2-[(4S)-4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(1R)-1-naphthalen-2-ylethyl]acetamide (PubChem CID 92786827) has the molecular formula C24H21F2N3O3 and a molecular weight of 437.45 g/mol. Its IUPAC name is 2-[(4S)-4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(1R)-1-naphthalen-2-ylethyl]acetamide.

Molecular Properties

Compound Name2-[(4S)-4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(1R)-1-naphthalen-2-ylethyl]acetamide
PubChem CID92786827
Molecular FormulaC24H21F2N3O3
Molecular Weight437.45 g/mol
Exact Mass437.16
IUPAC Name2-[(4S)-4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(1R)-1-naphthalen-2-ylethyl]acetamide
SMILESC[C@@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccc(F)c(F)c2)C1=O)c1ccc2ccccc2c1
InChIInChI=1S/C24H21F2N3O3/c1-14(16-8-7-15-5-3-4-6-17(15)11-16)27-21(30)13-29-22(31)24(2,28-23(29)32)18-9-10-19(25)20(26)12-18/h3-12,14H,13H2,1-2H3,(H,27,30)(H,28,32)/t14-,24+/m1/s1
InChIKeyMFJMITLALOOXQV-SHACYNPGSA-N
XLogP3.76
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.45
LogP ≤ 53.76
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-[4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]-N-(1-naphthalen-2-ylethyl)acetamide
CID 55327757
N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-2-[(4R)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 26017425
2-[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]-N-[(1R)-1-(4-phenylphenyl)ethyl]acetamide
CID 41194369
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
N-[(2R)-5-methylhexan-2-yl]-2-[(4R)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 40748919
2-[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]-N-(2-methylpropyl)acetamide
CID 51446549
N-[cyclopropyl(phenyl)methyl]-2-[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 55524395
N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide
CID 7596132
N-[1-(3,4-difluorophenyl)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
CID 51150839
2-[(4S)-4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 7801285
2-[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]-N-(3-propan-2-ylphenyl)acetamide
CID 9246846

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(1R)-1-naphthalen-2-ylethyl]acetamide?
The IUPAC name of 2-[(4S)-4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(1R)-1-naphthalen-2-ylethyl]acetamide (CID 92786827) is 2-[(4S)-4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(1R)-1-naphthalen-2-ylethyl]acetamide.
What is the SMILES notation for 2-[(4S)-4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(1R)-1-naphthalen-2-ylethyl]acetamide?
The canonical SMILES for 2-[(4S)-4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(1R)-1-naphthalen-2-ylethyl]acetamide is C[C@@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccc(F)c(F)c2)C1=O)c1ccc2ccccc2c1.
What is the InChIKey of 2-[(4S)-4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(1R)-1-naphthalen-2-ylethyl]acetamide?
The InChIKey is MFJMITLALOOXQV-SHACYNPGSA-N. The full InChI is InChI=1S/C24H21F2N3O3/c1-14(16-8-7-15-5-3-4-6-17(15)11-16)27-21(30)13-29-22(31)24(2,28-23(29)32)18-9-10-19(25)20(26)12-18/h3-12,14H,13H2,1-2H3,(H,27,30)(H,28,32)/t14-,24+/m1/s1.
What are the key properties of 2-[(4S)-4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(1R)-1-naphthalen-2-ylethyl]acetamide?
2-[(4S)-4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(1R)-1-naphthalen-2-ylethyl]acetamide has a molecular weight of 437.45 g/mol, XLogP of 3.76, 5 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-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(1R)-1-naphthalen-2-ylethyl]acetamide is sourced from PubChem (CID 92786827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).