N-[(5-bromo-2-fluorophenyl)methyl]-2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide

C16H17BrFN3O3 — CID 95602649

IUPACN-[(5-bromo-2-fluorophenyl)methyl]-2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESC[C@@]1(C2CC2)NC(=O)N(CC(=O)NCc2cc(Br)ccc2F)C1=O
InChIInChI=1S/C16H17BrFN3O3/c1-16(10-2-3-10)14(23)21(15(24)20-16)8-13(22)19-7-9-6-11(17)4-5-12(9)18/h4-6,10H,2-3,7-8H2,1H3,(H,19,22)(H,20,24)/t16-/m0/s1
InChIKeyZQIXUYSRSALKGN-INIZCTEOSA-N
MW398.23 g/mol
LogP1.92
Rot. Bonds5

About N-[(5-bromo-2-fluorophenyl)methyl]-2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide

N-[(5-bromo-2-fluorophenyl)methyl]-2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 95602649) has the molecular formula C16H17BrFN3O3 and a molecular weight of 398.23 g/mol. Its IUPAC name is N-[(5-bromo-2-fluorophenyl)methyl]-2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(5-bromo-2-fluorophenyl)methyl]-2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
PubChem CID95602649
Molecular FormulaC16H17BrFN3O3
Molecular Weight398.23 g/mol
Exact Mass397.04
IUPAC NameN-[(5-bromo-2-fluorophenyl)methyl]-2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESC[C@@]1(C2CC2)NC(=O)N(CC(=O)NCc2cc(Br)ccc2F)C1=O
InChIInChI=1S/C16H17BrFN3O3/c1-16(10-2-3-10)14(23)21(15(24)20-16)8-13(22)19-7-9-6-11(17)4-5-12(9)18/h4-6,10H,2-3,7-8H2,1H3,(H,19,22)(H,20,24)/t16-/m0/s1
InChIKeyZQIXUYSRSALKGN-INIZCTEOSA-N
XLogP1.92
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.23
LogP ≤ 51.92
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-(4-chloro-2-fluorophenyl)-2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 8572834
2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 30094410
2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[[2-(difluoromethoxy)phenyl]methyl]acetamide
CID 18143899
methyl 4-[[[2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]methyl]benzoate
CID 41192284
N-(2-amino-2-methylpropyl)-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide;hydrochloride
CID 119626308
N-[(2,5-difluorophenyl)methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 138997783
2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]acetamide
CID 56551831
N-(1,3-benzodioxol-5-ylmethyl)-2-[(4R)-4-cyclohexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7043089
N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 18117869
3-[(3-bromo-4-fluorophenyl)methyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione
CID 78878457
2-[4-(2-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(2-fluorophenyl)methyl]acetamide
CID 55399827
2-[(4R)-4-cyclohexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-fluoro-4-methylphenyl)acetamide
CID 7618626

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (CID 95602649) is N-[(5-bromo-2-fluorophenyl)methyl]-2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-[(5-bromo-2-fluorophenyl)methyl]-2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-[(5-bromo-2-fluorophenyl)methyl]-2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is C[C@@]1(C2CC2)NC(=O)N(CC(=O)NCc2cc(Br)ccc2F)C1=O.
What is the InChIKey of N-[(5-bromo-2-fluorophenyl)methyl]-2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The InChIKey is ZQIXUYSRSALKGN-INIZCTEOSA-N. The full InChI is InChI=1S/C16H17BrFN3O3/c1-16(10-2-3-10)14(23)21(15(24)20-16)8-13(22)19-7-9-6-11(17)4-5-12(9)18/h4-6,10H,2-3,7-8H2,1H3,(H,19,22)(H,20,24)/t16-/m0/s1.
What are the key properties of N-[(5-bromo-2-fluorophenyl)methyl]-2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
N-[(5-bromo-2-fluorophenyl)methyl]-2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 398.23 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-fluorophenyl)methyl]-2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 95602649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).