N-(3-cyano-1-adamantyl)-3-fluoro-2-methylbutanamide

C16H23FN2O — CID 58600013

IUPACN-(3-cyano-1-adamantyl)-3-fluoro-2-methylbutanamide
SMILESCC(F)C(C)C(=O)NC12CC3CC(CC(C#N)(C3)C1)C2
InChIInChI=1S/C16H23FN2O/c1-10(11(2)17)14(20)19-16-6-12-3-13(7-16)5-15(4-12,8-16)9-18/h10-13H,3-8H2,1-2H3,(H,19,20)
InChIKeyFEAZADSVGFLULI-UHFFFAOYSA-N
MW278.37 g/mol
LogP2.96
Rot. Bonds3

About N-(3-cyano-1-adamantyl)-3-fluoro-2-methylbutanamide

N-(3-cyano-1-adamantyl)-3-fluoro-2-methylbutanamide (PubChem CID 58600013) has the molecular formula C16H23FN2O and a molecular weight of 278.37 g/mol. Its IUPAC name is N-(3-cyano-1-adamantyl)-3-fluoro-2-methylbutanamide.

Molecular Properties

Compound NameN-(3-cyano-1-adamantyl)-3-fluoro-2-methylbutanamide
PubChem CID58600013
Molecular FormulaC16H23FN2O
Molecular Weight278.37 g/mol
Exact Mass278.18
IUPAC NameN-(3-cyano-1-adamantyl)-3-fluoro-2-methylbutanamide
SMILESCC(F)C(C)C(=O)NC12CC3CC(CC(C#N)(C3)C1)C2
InChIInChI=1S/C16H23FN2O/c1-10(11(2)17)14(20)19-16-6-12-3-13(7-16)5-15(4-12,8-16)9-18/h10-13H,3-8H2,1-2H3,(H,19,20)
InChIKeyFEAZADSVGFLULI-UHFFFAOYSA-N
XLogP2.96
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(3-cyano-1-adamantyl)-3-fluoro-2-methylbutanamide 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-(3-cyano-1-adamantyl)-3-fluoro-2-methylbutanamide?
The IUPAC name of N-(3-cyano-1-adamantyl)-3-fluoro-2-methylbutanamide (CID 58600013) is N-(3-cyano-1-adamantyl)-3-fluoro-2-methylbutanamide.
What is the SMILES notation for N-(3-cyano-1-adamantyl)-3-fluoro-2-methylbutanamide?
The canonical SMILES for N-(3-cyano-1-adamantyl)-3-fluoro-2-methylbutanamide is CC(F)C(C)C(=O)NC12CC3CC(CC(C#N)(C3)C1)C2.
What is the InChIKey of N-(3-cyano-1-adamantyl)-3-fluoro-2-methylbutanamide?
The InChIKey is FEAZADSVGFLULI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O/c1-10(11(2)17)14(20)19-16-6-12-3-13(7-16)5-15(4-12,8-16)9-18/h10-13H,3-8H2,1-2H3,(H,19,20).
What are the key properties of N-(3-cyano-1-adamantyl)-3-fluoro-2-methylbutanamide?
N-(3-cyano-1-adamantyl)-3-fluoro-2-methylbutanamide has a molecular weight of 278.37 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-1-adamantyl)-3-fluoro-2-methylbutanamide is sourced from PubChem (CID 58600013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).