N-[cyclopropyl(phenyl)methyl]-2-[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide

C22H21F2N3O3 — CID 55524395

IUPACN-[cyclopropyl(phenyl)methyl]-2-[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCC1(c2ccc(F)c(F)c2)NC(=O)N(CC(=O)NC(c2ccccc2)C2CC2)C1=O
InChIInChI=1S/C22H21F2N3O3/c1-22(15-9-10-16(23)17(24)11-15)20(29)27(21(30)26-22)12-18(28)25-19(14-7-8-14)13-5-3-2-4-6-13/h2-6,9-11,14,19H,7-8,12H2,1H3,(H,25,28)(H,26,30)
InChIKeyLUAUGQIMIZOVSM-UHFFFAOYSA-N
MW413.42 g/mol
LogP3.00
Rot. Bonds6

About N-[cyclopropyl(phenyl)methyl]-2-[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide

N-[cyclopropyl(phenyl)methyl]-2-[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 55524395) has the molecular formula C22H21F2N3O3 and a molecular weight of 413.42 g/mol. Its IUPAC name is N-[cyclopropyl(phenyl)methyl]-2-[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[cyclopropyl(phenyl)methyl]-2-[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
PubChem CID55524395
Molecular FormulaC22H21F2N3O3
Molecular Weight413.42 g/mol
Exact Mass413.16
IUPAC NameN-[cyclopropyl(phenyl)methyl]-2-[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCC1(c2ccc(F)c(F)c2)NC(=O)N(CC(=O)NC(c2ccccc2)C2CC2)C1=O
InChIInChI=1S/C22H21F2N3O3/c1-22(15-9-10-16(23)17(24)11-15)20(29)27(21(30)26-22)12-18(28)25-19(14-7-8-14)13-5-3-2-4-6-13/h2-6,9-11,14,19H,7-8,12H2,1H3,(H,25,28)(H,26,30)
InChIKeyLUAUGQIMIZOVSM-UHFFFAOYSA-N
XLogP3.00
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.42
LogP ≤ 53.00
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-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(1R)-1-naphthalen-2-ylethyl]acetamide
CID 92786827
N-[cyclopropyl(phenyl)methyl]-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 51295946
2-[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(5-methylhexan-2-yl)acetamide
CID 24520507
N-[cyclohexyl(phenyl)methyl]-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 71685791
N-[(1S)-1-cyclopropylethyl]-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 40748494
2-[(4R)-4-(2-bromo-4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(R)-cyclopropyl-(4-methylphenyl)methyl]acetamide
CID 52910073
N-[(1R)-1-cyclopropylethyl]-2-[(4S)-4-(2,6-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 94139870
N-[(S)-cyclopentyl-(4-fluorophenyl)methyl]-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 97021767
2-[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-ethylphenyl)acetamide
CID 55435825
2-[(4S)-4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 7801285
N-[cyclopropyl(phenyl)methyl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide
CID 86914718
N-(5-chloro-2-pyridinyl)-2-[(4R)-4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 51935140

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl(phenyl)methyl]-2-[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-[cyclopropyl(phenyl)methyl]-2-[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (CID 55524395) is N-[cyclopropyl(phenyl)methyl]-2-[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-[cyclopropyl(phenyl)methyl]-2-[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-[cyclopropyl(phenyl)methyl]-2-[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is CC1(c2ccc(F)c(F)c2)NC(=O)N(CC(=O)NC(c2ccccc2)C2CC2)C1=O.
What is the InChIKey of N-[cyclopropyl(phenyl)methyl]-2-[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The InChIKey is LUAUGQIMIZOVSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F2N3O3/c1-22(15-9-10-16(23)17(24)11-15)20(29)27(21(30)26-22)12-18(28)25-19(14-7-8-14)13-5-3-2-4-6-13/h2-6,9-11,14,19H,7-8,12H2,1H3,(H,25,28)(H,26,30).
What are the key properties of N-[cyclopropyl(phenyl)methyl]-2-[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
N-[cyclopropyl(phenyl)methyl]-2-[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 413.42 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl(phenyl)methyl]-2-[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 55524395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).