N-(2,6-difluorophenyl)-2-(1-methyl-3,5-dioxopyrazolidin-4-yl)acetamide

C12H11F2N3O3 — CID 110703624

IUPACN-(2,6-difluorophenyl)-2-(1-methyl-3,5-dioxopyrazolidin-4-yl)acetamide
SMILESCN1NC(=O)C(CC(=O)Nc2c(F)cccc2F)C1=O
InChIInChI=1S/C12H11F2N3O3/c1-17-12(20)6(11(19)16-17)5-9(18)15-10-7(13)3-2-4-8(10)14/h2-4,6H,5H2,1H3,(H,15,18)(H,16,19)
InChIKeyGIOWJVSSDYFQGI-UHFFFAOYSA-N
MW283.23 g/mol
LogP0.41
Rot. Bonds3

About N-(2,6-difluorophenyl)-2-(1-methyl-3,5-dioxopyrazolidin-4-yl)acetamide

N-(2,6-difluorophenyl)-2-(1-methyl-3,5-dioxopyrazolidin-4-yl)acetamide (PubChem CID 110703624) has the molecular formula C12H11F2N3O3 and a molecular weight of 283.23 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-2-(1-methyl-3,5-dioxopyrazolidin-4-yl)acetamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-2-(1-methyl-3,5-dioxopyrazolidin-4-yl)acetamide
PubChem CID110703624
Molecular FormulaC12H11F2N3O3
Molecular Weight283.23 g/mol
Exact Mass283.08
IUPAC NameN-(2,6-difluorophenyl)-2-(1-methyl-3,5-dioxopyrazolidin-4-yl)acetamide
SMILESCN1NC(=O)C(CC(=O)Nc2c(F)cccc2F)C1=O
InChIInChI=1S/C12H11F2N3O3/c1-17-12(20)6(11(19)16-17)5-9(18)15-10-7(13)3-2-4-8(10)14/h2-4,6H,5H2,1H3,(H,15,18)(H,16,19)
InChIKeyGIOWJVSSDYFQGI-UHFFFAOYSA-N
XLogP0.41
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.23
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_B(12)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze N-(2,6-difluorophenyl)-2-(1-methyl-3,5-dioxopyrazolidin-4-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,4-dimethylphenyl)-2-(1-methyl-3,5-dioxopyrazolidin-4-yl)acetamide
CID 110703519
N-(2,6-difluorophenyl)-2-(1-methylpyrrolidin-2-yl)acetamide
CID 110865261
2-(1-methyl-3,5-dioxopyrazolidin-4-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 110703578
N-(4-bromo-3-methylphenyl)-2-(1-methyl-3,5-dioxopyrazolidin-4-yl)acetamide
CID 110703591
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,6-difluorophenyl)acetamide
CID 79607934
N-(6-chloro-1,3-benzothiazol-2-yl)-2-(1-methyl-3,5-dioxopyrazolidin-4-yl)acetamide
CID 110703608
2-(cyclohexylmethylamino)-N-(2,6-difluorophenyl)acetamide
CID 43405285
N-(2,6-difluorophenyl)-2-[(2-methylcyclopropyl)methylamino]acetamide
CID 113463807
N-(2,6-difluorophenyl)-3-(4,5-dimethyl-2-oxo-1H-imidazol-3-yl)propanamide
CID 84578083
N-(2,6-difluorophenyl)-3-[(1R,2R,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]propanamide
CID 98394477
N-(2,6-difluorophenyl)-3-(1-methylpiperidin-2-yl)propanamide
CID 110865271
N-(2,6-difluorophenyl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]acetamide
CID 102788937

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-2-(1-methyl-3,5-dioxopyrazolidin-4-yl)acetamide?
The IUPAC name of N-(2,6-difluorophenyl)-2-(1-methyl-3,5-dioxopyrazolidin-4-yl)acetamide (CID 110703624) is N-(2,6-difluorophenyl)-2-(1-methyl-3,5-dioxopyrazolidin-4-yl)acetamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-2-(1-methyl-3,5-dioxopyrazolidin-4-yl)acetamide?
The canonical SMILES for N-(2,6-difluorophenyl)-2-(1-methyl-3,5-dioxopyrazolidin-4-yl)acetamide is CN1NC(=O)C(CC(=O)Nc2c(F)cccc2F)C1=O.
What is the InChIKey of N-(2,6-difluorophenyl)-2-(1-methyl-3,5-dioxopyrazolidin-4-yl)acetamide?
The InChIKey is GIOWJVSSDYFQGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2N3O3/c1-17-12(20)6(11(19)16-17)5-9(18)15-10-7(13)3-2-4-8(10)14/h2-4,6H,5H2,1H3,(H,15,18)(H,16,19).
What are the key properties of N-(2,6-difluorophenyl)-2-(1-methyl-3,5-dioxopyrazolidin-4-yl)acetamide?
N-(2,6-difluorophenyl)-2-(1-methyl-3,5-dioxopyrazolidin-4-yl)acetamide has a molecular weight of 283.23 g/mol, XLogP of 0.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-2-(1-methyl-3,5-dioxopyrazolidin-4-yl)acetamide is sourced from PubChem (CID 110703624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).