N-(2,6-difluoro-3-pyridinyl)-2-ethylbutanamide

C11H14F2N2O — CID 103097627

IUPACN-(2,6-difluoro-3-pyridinyl)-2-ethylbutanamide
SMILESCCC(CC)C(=O)Nc1ccc(F)nc1F
InChIInChI=1S/C11H14F2N2O/c1-3-7(4-2)11(16)14-8-5-6-9(12)15-10(8)13/h5-7H,3-4H2,1-2H3,(H,14,16)
InChIKeyFYPBJPICBGCVAC-UHFFFAOYSA-N
MW228.24 g/mol
LogP2.73
Rot. Bonds4

About N-(2,6-difluoro-3-pyridinyl)-2-ethylbutanamide

N-(2,6-difluoro-3-pyridinyl)-2-ethylbutanamide (PubChem CID 103097627) has the molecular formula C11H14F2N2O and a molecular weight of 228.24 g/mol. Its IUPAC name is N-(2,6-difluoro-3-pyridinyl)-2-ethylbutanamide.

Molecular Properties

Compound NameN-(2,6-difluoro-3-pyridinyl)-2-ethylbutanamide
PubChem CID103097627
Molecular FormulaC11H14F2N2O
Molecular Weight228.24 g/mol
Exact Mass228.11
IUPAC NameN-(2,6-difluoro-3-pyridinyl)-2-ethylbutanamide
SMILESCCC(CC)C(=O)Nc1ccc(F)nc1F
InChIInChI=1S/C11H14F2N2O/c1-3-7(4-2)11(16)14-8-5-6-9(12)15-10(8)13/h5-7H,3-4H2,1-2H3,(H,14,16)
InChIKeyFYPBJPICBGCVAC-UHFFFAOYSA-N
XLogP2.73
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluoro-3-pyridinyl)-2-ethylbutanamide?
The IUPAC name of N-(2,6-difluoro-3-pyridinyl)-2-ethylbutanamide (CID 103097627) is N-(2,6-difluoro-3-pyridinyl)-2-ethylbutanamide.
What is the SMILES notation for N-(2,6-difluoro-3-pyridinyl)-2-ethylbutanamide?
The canonical SMILES for N-(2,6-difluoro-3-pyridinyl)-2-ethylbutanamide is CCC(CC)C(=O)Nc1ccc(F)nc1F.
What is the InChIKey of N-(2,6-difluoro-3-pyridinyl)-2-ethylbutanamide?
The InChIKey is FYPBJPICBGCVAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O/c1-3-7(4-2)11(16)14-8-5-6-9(12)15-10(8)13/h5-7H,3-4H2,1-2H3,(H,14,16).
What are the key properties of N-(2,6-difluoro-3-pyridinyl)-2-ethylbutanamide?
N-(2,6-difluoro-3-pyridinyl)-2-ethylbutanamide has a molecular weight of 228.24 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluoro-3-pyridinyl)-2-ethylbutanamide is sourced from PubChem (CID 103097627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).