N-cyclopropyl-5,5-difluoro-3-(methylamino)-2-oxopentanamide

C9H14F2N2O2 — CID 70286319

IUPACN-cyclopropyl-5,5-difluoro-3-(methylamino)-2-oxopentanamide
SMILESCNC(CC(F)F)C(=O)C(=O)NC1CC1
InChIInChI=1S/C9H14F2N2O2/c1-12-6(4-7(10)11)8(14)9(15)13-5-2-3-5/h5-7,12H,2-4H2,1H3,(H,13,15)
InChIKeyHUVKEGBHNWXZTK-UHFFFAOYSA-N
MW220.22 g/mol
LogP0.08
Rot. Bonds6

About N-cyclopropyl-5,5-difluoro-3-(methylamino)-2-oxopentanamide

N-cyclopropyl-5,5-difluoro-3-(methylamino)-2-oxopentanamide (PubChem CID 70286319) has the molecular formula C9H14F2N2O2 and a molecular weight of 220.22 g/mol. Its IUPAC name is N-cyclopropyl-5,5-difluoro-3-(methylamino)-2-oxopentanamide.

Molecular Properties

Compound NameN-cyclopropyl-5,5-difluoro-3-(methylamino)-2-oxopentanamide
PubChem CID70286319
Molecular FormulaC9H14F2N2O2
Molecular Weight220.22 g/mol
Exact Mass220.10
IUPAC NameN-cyclopropyl-5,5-difluoro-3-(methylamino)-2-oxopentanamide
SMILESCNC(CC(F)F)C(=O)C(=O)NC1CC1
InChIInChI=1S/C9H14F2N2O2/c1-12-6(4-7(10)11)8(14)9(15)13-5-2-3-5/h5-7,12H,2-4H2,1H3,(H,13,15)
InChIKeyHUVKEGBHNWXZTK-UHFFFAOYSA-N
XLogP0.08
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-cyclopropyl-5,5-difluoro-3-(methylamino)-2-oxopentanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5,5-difluoro-3-(methylamino)-2-oxopentanamide?
The IUPAC name of N-cyclopropyl-5,5-difluoro-3-(methylamino)-2-oxopentanamide (CID 70286319) is N-cyclopropyl-5,5-difluoro-3-(methylamino)-2-oxopentanamide.
What is the SMILES notation for N-cyclopropyl-5,5-difluoro-3-(methylamino)-2-oxopentanamide?
The canonical SMILES for N-cyclopropyl-5,5-difluoro-3-(methylamino)-2-oxopentanamide is CNC(CC(F)F)C(=O)C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-5,5-difluoro-3-(methylamino)-2-oxopentanamide?
The InChIKey is HUVKEGBHNWXZTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2N2O2/c1-12-6(4-7(10)11)8(14)9(15)13-5-2-3-5/h5-7,12H,2-4H2,1H3,(H,13,15).
What are the key properties of N-cyclopropyl-5,5-difluoro-3-(methylamino)-2-oxopentanamide?
N-cyclopropyl-5,5-difluoro-3-(methylamino)-2-oxopentanamide has a molecular weight of 220.22 g/mol, XLogP of 0.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5,5-difluoro-3-(methylamino)-2-oxopentanamide is sourced from PubChem (CID 70286319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).