N-(2,2-difluoro-3-hydroxypropyl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide

C11H17F2N3O4 — CID 104857752

IUPACN-(2,2-difluoro-3-hydroxypropyl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide
SMILESCN1CC(=O)N(CCCC(=O)NCC(F)(F)CO)C1=O
InChIInChI=1S/C11H17F2N3O4/c1-15-5-9(19)16(10(15)20)4-2-3-8(18)14-6-11(12,13)7-17/h17H,2-7H2,1H3,(H,14,18)
InChIKeyZRIZMGANAMLREL-UHFFFAOYSA-N
MW293.27 g/mol
LogP-0.60
Rot. Bonds7

About N-(2,2-difluoro-3-hydroxypropyl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide

N-(2,2-difluoro-3-hydroxypropyl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide (PubChem CID 104857752) has the molecular formula C11H17F2N3O4 and a molecular weight of 293.27 g/mol. Its IUPAC name is N-(2,2-difluoro-3-hydroxypropyl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide.

Molecular Properties

Compound NameN-(2,2-difluoro-3-hydroxypropyl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide
PubChem CID104857752
Molecular FormulaC11H17F2N3O4
Molecular Weight293.27 g/mol
Exact Mass293.12
IUPAC NameN-(2,2-difluoro-3-hydroxypropyl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide
SMILESCN1CC(=O)N(CCCC(=O)NCC(F)(F)CO)C1=O
InChIInChI=1S/C11H17F2N3O4/c1-15-5-9(19)16(10(15)20)4-2-3-8(18)14-6-11(12,13)7-17/h17H,2-7H2,1H3,(H,14,18)
InChIKeyZRIZMGANAMLREL-UHFFFAOYSA-N
XLogP-0.60
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.27
LogP ≤ 5-0.60
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

N-(2,2-difluoro-3-hydroxypropyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 104857888
N-(3-hydroxy-2-methylpropyl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide
CID 65032246
4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(2,2,2-trifluoroethoxy)butanamide
CID 81339845
4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-[(2-methylpropan-2-yl)oxy]butanamide
CID 82725201
N-[3,5-bis(trifluoromethyl)phenyl]-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide
CID 9207191
N-cyano-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide
CID 79194682
1-methyl-3-(4-oxohexyl)imidazolidine-2,4-dione
CID 106801687
N-(2,2-difluoro-3-hydroxypropyl)-4-hydroxybutanamide
CID 106178303
N-[(3-hydroxycyclopentyl)methyl]-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide
CID 103280677
N-(2-amino-2-oxoethoxy)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide
CID 112550669
3-[4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoylamino]butanoic acid
CID 43360769
N-(1-hydroxypentan-3-yl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide
CID 115735166

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide?
The IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide (CID 104857752) is N-(2,2-difluoro-3-hydroxypropyl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide.
What is the SMILES notation for N-(2,2-difluoro-3-hydroxypropyl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide?
The canonical SMILES for N-(2,2-difluoro-3-hydroxypropyl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide is CN1CC(=O)N(CCCC(=O)NCC(F)(F)CO)C1=O.
What is the InChIKey of N-(2,2-difluoro-3-hydroxypropyl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide?
The InChIKey is ZRIZMGANAMLREL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2N3O4/c1-15-5-9(19)16(10(15)20)4-2-3-8(18)14-6-11(12,13)7-17/h17H,2-7H2,1H3,(H,14,18).
What are the key properties of N-(2,2-difluoro-3-hydroxypropyl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide?
N-(2,2-difluoro-3-hydroxypropyl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide has a molecular weight of 293.27 g/mol, XLogP of -0.60, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-3-hydroxypropyl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide is sourced from PubChem (CID 104857752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).