2-chloro-N-[6-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]acetamide

C12H14ClF2N3O — CID 118961423

IUPAC2-chloro-N-[6-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]acetamide
SMILESO=C(CCl)Nc1cccc(N2CCC(F)(F)CC2)n1
InChIInChI=1S/C12H14ClF2N3O/c13-8-11(19)17-9-2-1-3-10(16-9)18-6-4-12(14,15)5-7-18/h1-3H,4-8H2,(H,16,17,19)
InChIKeyMXQKMDRVTLDLFL-UHFFFAOYSA-N
MW289.71 g/mol
LogP2.49
Rot. Bonds3

About 2-chloro-N-[6-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]acetamide

2-chloro-N-[6-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]acetamide (PubChem CID 118961423) has the molecular formula C12H14ClF2N3O and a molecular weight of 289.71 g/mol. Its IUPAC name is 2-chloro-N-[6-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[6-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]acetamide
PubChem CID118961423
Molecular FormulaC12H14ClF2N3O
Molecular Weight289.71 g/mol
Exact Mass289.08
IUPAC Name2-chloro-N-[6-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]acetamide
SMILESO=C(CCl)Nc1cccc(N2CCC(F)(F)CC2)n1
InChIInChI=1S/C12H14ClF2N3O/c13-8-11(19)17-9-2-1-3-10(16-9)18-6-4-12(14,15)5-7-18/h1-3H,4-8H2,(H,16,17,19)
InChIKeyMXQKMDRVTLDLFL-UHFFFAOYSA-N
XLogP2.49
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.71
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-chloro-N-[6-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]acetamide 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 2-chloro-N-[6-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]acetamide?
The IUPAC name of 2-chloro-N-[6-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]acetamide (CID 118961423) is 2-chloro-N-[6-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]acetamide.
What is the SMILES notation for 2-chloro-N-[6-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]acetamide?
The canonical SMILES for 2-chloro-N-[6-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]acetamide is O=C(CCl)Nc1cccc(N2CCC(F)(F)CC2)n1.
What is the InChIKey of 2-chloro-N-[6-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]acetamide?
The InChIKey is MXQKMDRVTLDLFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClF2N3O/c13-8-11(19)17-9-2-1-3-10(16-9)18-6-4-12(14,15)5-7-18/h1-3H,4-8H2,(H,16,17,19).
What are the key properties of 2-chloro-N-[6-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]acetamide?
2-chloro-N-[6-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]acetamide has a molecular weight of 289.71 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[6-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]acetamide is sourced from PubChem (CID 118961423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).