2-chloro-N-[(5,5-difluoro-6-oxopiperidin-2-yl)methyl]acetamide

C8H11ClF2N2O2 — CID 146103283

IUPAC2-chloro-N-[(5,5-difluoro-6-oxopiperidin-2-yl)methyl]acetamide
SMILESO=C(CCl)NCC1CCC(F)(F)C(=O)N1
InChIInChI=1S/C8H11ClF2N2O2/c9-3-6(14)12-4-5-1-2-8(10,11)7(15)13-5/h5H,1-4H2,(H,12,14)(H,13,15)
InChIKeyMIFSHUCLQLREGX-UHFFFAOYSA-N
MW240.64 g/mol
LogP0.26
Rot. Bonds3

About 2-chloro-N-[(5,5-difluoro-6-oxopiperidin-2-yl)methyl]acetamide

2-chloro-N-[(5,5-difluoro-6-oxopiperidin-2-yl)methyl]acetamide (PubChem CID 146103283) has the molecular formula C8H11ClF2N2O2 and a molecular weight of 240.64 g/mol. Its IUPAC name is 2-chloro-N-[(5,5-difluoro-6-oxopiperidin-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[(5,5-difluoro-6-oxopiperidin-2-yl)methyl]acetamide
PubChem CID146103283
Molecular FormulaC8H11ClF2N2O2
Molecular Weight240.64 g/mol
Exact Mass240.05
IUPAC Name2-chloro-N-[(5,5-difluoro-6-oxopiperidin-2-yl)methyl]acetamide
SMILESO=C(CCl)NCC1CCC(F)(F)C(=O)N1
InChIInChI=1S/C8H11ClF2N2O2/c9-3-6(14)12-4-5-1-2-8(10,11)7(15)13-5/h5H,1-4H2,(H,12,14)(H,13,15)
InChIKeyMIFSHUCLQLREGX-UHFFFAOYSA-N
XLogP0.26
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.64
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(pyrrolidin-2-ylmethyl)acetamide
CID 71302527
2-chloro-N-[(7-oxo-6-azabicyclo[3.2.1]octan-5-yl)methyl]acetamide
CID 146105401
2-chloro-N-[(1-methyl-2-oxopyrrolidin-3-yl)methyl]acetamide
CID 146109198
N-[(6,6-difluoro-7-oxoazepan-2-yl)methyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide
CID 167753220
2-(2-methoxyethylamino)-N-[(5-oxopyrrolidin-2-yl)methyl]acetamide
CID 79282461
2-chloro-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]acetamide
CID 60809819
2-chloro-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]acetamide
CID 50989385
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(5-oxopyrrolidin-2-yl)methyl]acetamide
CID 79615615
2-chloro-N-(oxolan-2-ylmethyl)acetamide;hydrochloride
CID 143235594
2-chloro-N-[[1-[4-(4-chlorophenoxy)piperidine-4-carbonyl]piperidin-4-yl]methyl]acetamide
CID 168654849
2-chloro-N-[[1-[1-(4-chloroanilino)cyclopropanecarbonyl]piperidin-4-yl]methyl]acetamide
CID 168654867
4-hydroxy-N-[(5-oxopyrrolidin-2-yl)methyl]pentanamide
CID 79192403

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(5,5-difluoro-6-oxopiperidin-2-yl)methyl]acetamide?
The IUPAC name of 2-chloro-N-[(5,5-difluoro-6-oxopiperidin-2-yl)methyl]acetamide (CID 146103283) is 2-chloro-N-[(5,5-difluoro-6-oxopiperidin-2-yl)methyl]acetamide.
What is the SMILES notation for 2-chloro-N-[(5,5-difluoro-6-oxopiperidin-2-yl)methyl]acetamide?
The canonical SMILES for 2-chloro-N-[(5,5-difluoro-6-oxopiperidin-2-yl)methyl]acetamide is O=C(CCl)NCC1CCC(F)(F)C(=O)N1.
What is the InChIKey of 2-chloro-N-[(5,5-difluoro-6-oxopiperidin-2-yl)methyl]acetamide?
The InChIKey is MIFSHUCLQLREGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClF2N2O2/c9-3-6(14)12-4-5-1-2-8(10,11)7(15)13-5/h5H,1-4H2,(H,12,14)(H,13,15).
What are the key properties of 2-chloro-N-[(5,5-difluoro-6-oxopiperidin-2-yl)methyl]acetamide?
2-chloro-N-[(5,5-difluoro-6-oxopiperidin-2-yl)methyl]acetamide has a molecular weight of 240.64 g/mol, XLogP of 0.26, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(5,5-difluoro-6-oxopiperidin-2-yl)methyl]acetamide is sourced from PubChem (CID 146103283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).