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

C17H19F2N3O4 — CID 18143899

IUPAC2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[[2-(difluoromethoxy)phenyl]methyl]acetamide
SMILESCC1(C2CC2)NC(=O)N(CC(=O)NCc2ccccc2OC(F)F)C1=O
InChIInChI=1S/C17H19F2N3O4/c1-17(11-6-7-11)14(24)22(16(25)21-17)9-13(23)20-8-10-4-2-3-5-12(10)26-15(18)19/h2-5,11,15H,6-9H2,1H3,(H,20,23)(H,21,25)
InChIKeyKLRKEPXXXSWODX-UHFFFAOYSA-N
MW367.35 g/mol
LogP1.62
Rot. Bonds7

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

2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[[2-(difluoromethoxy)phenyl]methyl]acetamide (PubChem CID 18143899) has the molecular formula C17H19F2N3O4 and a molecular weight of 367.35 g/mol. Its IUPAC name is 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[[2-(difluoromethoxy)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[[2-(difluoromethoxy)phenyl]methyl]acetamide
PubChem CID18143899
Molecular FormulaC17H19F2N3O4
Molecular Weight367.35 g/mol
Exact Mass367.13
IUPAC Name2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[[2-(difluoromethoxy)phenyl]methyl]acetamide
SMILESCC1(C2CC2)NC(=O)N(CC(=O)NCc2ccccc2OC(F)F)C1=O
InChIInChI=1S/C17H19F2N3O4/c1-17(11-6-7-11)14(24)22(16(25)21-17)9-13(23)20-8-10-4-2-3-5-12(10)26-15(18)19/h2-5,11,15H,6-9H2,1H3,(H,20,23)(H,21,25)
InChIKeyKLRKEPXXXSWODX-UHFFFAOYSA-N
XLogP1.62
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.35
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 30094410
N-[[2-(difluoromethoxy)phenyl]methyl]-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 55507658
N-[(5-bromo-2-fluorophenyl)methyl]-2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 95602649
methyl 4-[[[2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]methyl]benzoate
CID 41192284
2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[2-(ethylaminomethyl)phenyl]acetamide
CID 119438955
N-[[2-(difluoromethoxy)phenyl]methyl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide
CID 24611766
N-(2-benzylphenyl)-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 16556819
2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[2-(difluoromethylsulfonyl)phenyl]acetamide
CID 55360371
2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(2-propan-2-ylphenyl)acetamide
CID 16557391
2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(2-iodophenyl)acetamide
CID 16557019
N-(2-cyanophenyl)-2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 8760806
(2R)-2-[[2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-3-phenylpropanoic acid
CID 119366870

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[[2-(difluoromethoxy)phenyl]methyl]acetamide?
The IUPAC name of 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[[2-(difluoromethoxy)phenyl]methyl]acetamide (CID 18143899) is 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[[2-(difluoromethoxy)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[[2-(difluoromethoxy)phenyl]methyl]acetamide?
The canonical SMILES for 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[[2-(difluoromethoxy)phenyl]methyl]acetamide is CC1(C2CC2)NC(=O)N(CC(=O)NCc2ccccc2OC(F)F)C1=O.
What is the InChIKey of 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[[2-(difluoromethoxy)phenyl]methyl]acetamide?
The InChIKey is KLRKEPXXXSWODX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N3O4/c1-17(11-6-7-11)14(24)22(16(25)21-17)9-13(23)20-8-10-4-2-3-5-12(10)26-15(18)19/h2-5,11,15H,6-9H2,1H3,(H,20,23)(H,21,25).
What are the key properties of 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[[2-(difluoromethoxy)phenyl]methyl]acetamide?
2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[[2-(difluoromethoxy)phenyl]methyl]acetamide has a molecular weight of 367.35 g/mol, XLogP of 1.62, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[[2-(difluoromethoxy)phenyl]methyl]acetamide is sourced from PubChem (CID 18143899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).