3-amino-3-fluoro-5-methyl-2-oxooctanamide

C9H17FN2O2 — CID 123627486

IUPAC3-amino-3-fluoro-5-methyl-2-oxooctanamide
SMILESCCCC(C)CC(N)(F)C(=O)C(N)=O
InChIInChI=1S/C9H17FN2O2/c1-3-4-6(2)5-9(10,12)7(13)8(11)14/h6H,3-5,12H2,1-2H3,(H2,11,14)
InChIKeyLYRAZDCMBVQPCR-UHFFFAOYSA-N
MW204.24 g/mol
LogP0.49
Rot. Bonds6

About 3-amino-3-fluoro-5-methyl-2-oxooctanamide

3-amino-3-fluoro-5-methyl-2-oxooctanamide (PubChem CID 123627486) has the molecular formula C9H17FN2O2 and a molecular weight of 204.24 g/mol. Its IUPAC name is 3-amino-3-fluoro-5-methyl-2-oxooctanamide.

Molecular Properties

Compound Name3-amino-3-fluoro-5-methyl-2-oxooctanamide
PubChem CID123627486
Molecular FormulaC9H17FN2O2
Molecular Weight204.24 g/mol
Exact Mass204.13
IUPAC Name3-amino-3-fluoro-5-methyl-2-oxooctanamide
SMILESCCCC(C)CC(N)(F)C(=O)C(N)=O
InChIInChI=1S/C9H17FN2O2/c1-3-4-6(2)5-9(10,12)7(13)8(11)14/h6H,3-5,12H2,1-2H3,(H2,11,14)
InChIKeyLYRAZDCMBVQPCR-UHFFFAOYSA-N
XLogP0.49
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.24
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-amino-3-fluoro-5-methyl-2-oxooctanamide 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 3-amino-3-fluoro-5-methyl-2-oxooctanamide?
The IUPAC name of 3-amino-3-fluoro-5-methyl-2-oxooctanamide (CID 123627486) is 3-amino-3-fluoro-5-methyl-2-oxooctanamide.
What is the SMILES notation for 3-amino-3-fluoro-5-methyl-2-oxooctanamide?
The canonical SMILES for 3-amino-3-fluoro-5-methyl-2-oxooctanamide is CCCC(C)CC(N)(F)C(=O)C(N)=O.
What is the InChIKey of 3-amino-3-fluoro-5-methyl-2-oxooctanamide?
The InChIKey is LYRAZDCMBVQPCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17FN2O2/c1-3-4-6(2)5-9(10,12)7(13)8(11)14/h6H,3-5,12H2,1-2H3,(H2,11,14).
What are the key properties of 3-amino-3-fluoro-5-methyl-2-oxooctanamide?
3-amino-3-fluoro-5-methyl-2-oxooctanamide has a molecular weight of 204.24 g/mol, XLogP of 0.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-fluoro-5-methyl-2-oxooctanamide is sourced from PubChem (CID 123627486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).