2-chloro-N-(2,6-dimethylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide

C17H23ClN2O2 — CID 70581631

IUPAC2-chloro-N-(2,6-dimethylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
SMILESCc1cccc(C)c1N(CC(=O)N1CCCCC1)C(=O)CCl
InChIInChI=1S/C17H23ClN2O2/c1-13-7-6-8-14(2)17(13)20(15(21)11-18)12-16(22)19-9-4-3-5-10-19/h6-8H,3-5,9-12H2,1-2H3
InChIKeyTYESSAIJKVGURY-UHFFFAOYSA-N
MW322.84 g/mol
LogP2.89
Rot. Bonds4

About 2-chloro-N-(2,6-dimethylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide

2-chloro-N-(2,6-dimethylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide (PubChem CID 70581631) has the molecular formula C17H23ClN2O2 and a molecular weight of 322.84 g/mol. Its IUPAC name is 2-chloro-N-(2,6-dimethylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(2,6-dimethylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
PubChem CID70581631
Molecular FormulaC17H23ClN2O2
Molecular Weight322.84 g/mol
Exact Mass322.14
IUPAC Name2-chloro-N-(2,6-dimethylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
SMILESCc1cccc(C)c1N(CC(=O)N1CCCCC1)C(=O)CCl
InChIInChI=1S/C17H23ClN2O2/c1-13-7-6-8-14(2)17(13)20(15(21)11-18)12-16(22)19-9-4-3-5-10-19/h6-8H,3-5,9-12H2,1-2H3
InChIKeyTYESSAIJKVGURY-UHFFFAOYSA-N
XLogP2.89
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.84
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methyl-6-propan-2-ylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 113170241
N-(2,6-dimethylphenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide
CID 113124813
N-(2,6-dimethylphenyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]acetamide
CID 113168676
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-(2-ethyl-6-methylphenyl)acetamide
CID 113169422
N-[2,6-di(propan-2-yl)phenyl]-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
CID 113178550
N-(2,6-dimethylphenyl)-N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]acetamide
CID 113168682
N-[2-(azepan-1-yl)-2-oxoethyl]-N-phenylacetamide
CID 113167153
N-[2-(azepan-1-yl)-2-oxoethyl]-N-(2-chlorophenyl)acetamide
CID 113171182
N-[3-(azepan-1-yl)-3-oxopropyl]-N-(2-ethyl-6-methylphenyl)acetamide
CID 113125572
1-(azepan-1-yl)-3-(2,6-dimethylanilino)propan-1-one
CID 109033510
N-(3-bromo-4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
CID 113173034
2-(N-(2-chloroacetyl)-2-ethyl-6-methylanilino)-N-hydroxy-N-methylacetamide
CID 12810720

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,6-dimethylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide?
The IUPAC name of 2-chloro-N-(2,6-dimethylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide (CID 70581631) is 2-chloro-N-(2,6-dimethylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide.
What is the SMILES notation for 2-chloro-N-(2,6-dimethylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide?
The canonical SMILES for 2-chloro-N-(2,6-dimethylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide is Cc1cccc(C)c1N(CC(=O)N1CCCCC1)C(=O)CCl.
What is the InChIKey of 2-chloro-N-(2,6-dimethylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide?
The InChIKey is TYESSAIJKVGURY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O2/c1-13-7-6-8-14(2)17(13)20(15(21)11-18)12-16(22)19-9-4-3-5-10-19/h6-8H,3-5,9-12H2,1-2H3.
What are the key properties of 2-chloro-N-(2,6-dimethylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide?
2-chloro-N-(2,6-dimethylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide has a molecular weight of 322.84 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,6-dimethylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide is sourced from PubChem (CID 70581631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).