2-chloro-N-(2-methyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl)acetamide

C10H17ClN2O2 — CID 146109017

IUPAC2-chloro-N-(2-methyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl)acetamide
SMILESCC(C)(NC(=O)CCl)C(=O)N1CCCC1
InChIInChI=1S/C10H17ClN2O2/c1-10(2,12-8(14)7-11)9(15)13-5-3-4-6-13/h3-7H2,1-2H3,(H,12,14)
InChIKeyCPHYFCQAVNWGGV-UHFFFAOYSA-N
MW232.71 g/mol
LogP0.74
Rot. Bonds3

About 2-chloro-N-(2-methyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl)acetamide

2-chloro-N-(2-methyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl)acetamide (PubChem CID 146109017) has the molecular formula C10H17ClN2O2 and a molecular weight of 232.71 g/mol. Its IUPAC name is 2-chloro-N-(2-methyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(2-methyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl)acetamide
PubChem CID146109017
Molecular FormulaC10H17ClN2O2
Molecular Weight232.71 g/mol
Exact Mass232.10
IUPAC Name2-chloro-N-(2-methyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl)acetamide
SMILESCC(C)(NC(=O)CCl)C(=O)N1CCCC1
InChIInChI=1S/C10H17ClN2O2/c1-10(2,12-8(14)7-11)9(15)13-5-3-4-6-13/h3-7H2,1-2H3,(H,12,14)
InChIKeyCPHYFCQAVNWGGV-UHFFFAOYSA-N
XLogP0.74
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.71
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-chloro-N-(2-methyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-methyl-1-oxo-1-piperidin-1-ylpropan-2-yl)benzamide
CID 90688649
N-tert-butyl-2,2-dimethyl-3-oxo-3-pyrrolidin-1-ylpropanamide
CID 108958414
1-(azepan-1-yl)-2,2-dimethylbutan-1-one
CID 4631423
3-bromo-2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one
CID 58931523
2-(ethylamino)-1-(4-hydroxy-4-methylazepan-1-yl)-2-methylpropan-1-one
CID 107404378
N-[3-(tert-butylamino)-3-oxopropyl]piperidine-1-carboxamide
CID 115609267
2-chloro-N-piperidin-1-ylacetamide
CID 17164466
3-(azepan-1-yl)-N-[2-(dimethylamino)ethyl]-2,2-dimethyl-3-oxopropanamide
CID 108960243
N-(2-methylbut-3-yn-2-yl)piperidine-1-carboxamide
CID 79155210
N-(2-methylbutan-2-yl)azepane-1-carboxamide
CID 116653730
2-(ethylamino)-2-methyl-1-(4-methylazepan-1-yl)propan-1-one
CID 63626151
N-(2-methyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-1H-pyrrolo[2,3-b]pyridine-6-carboxamide
CID 166222428

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-methyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl)acetamide?
The IUPAC name of 2-chloro-N-(2-methyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl)acetamide (CID 146109017) is 2-chloro-N-(2-methyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl)acetamide.
What is the SMILES notation for 2-chloro-N-(2-methyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl)acetamide?
The canonical SMILES for 2-chloro-N-(2-methyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl)acetamide is CC(C)(NC(=O)CCl)C(=O)N1CCCC1.
What is the InChIKey of 2-chloro-N-(2-methyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl)acetamide?
The InChIKey is CPHYFCQAVNWGGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN2O2/c1-10(2,12-8(14)7-11)9(15)13-5-3-4-6-13/h3-7H2,1-2H3,(H,12,14).
What are the key properties of 2-chloro-N-(2-methyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl)acetamide?
2-chloro-N-(2-methyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl)acetamide has a molecular weight of 232.71 g/mol, XLogP of 0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-methyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl)acetamide is sourced from PubChem (CID 146109017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).