2-chloro-N-(2-oxopropyl)acetamide

C5H8ClNO2 — CID 55286049

IUPAC2-chloro-N-(2-oxopropyl)acetamide
SMILESCC(=O)CNC(=O)CCl
InChIInChI=1S/C5H8ClNO2/c1-4(8)3-7-5(9)2-6/h2-3H2,1H3,(H,7,9)
InChIKeyIVOOEPCXVYAICH-UHFFFAOYSA-N
MW149.58 g/mol
LogP-0.07
Rot. Bonds3

About 2-chloro-N-(2-oxopropyl)acetamide

2-chloro-N-(2-oxopropyl)acetamide (PubChem CID 55286049) has the molecular formula C5H8ClNO2 and a molecular weight of 149.58 g/mol. Its IUPAC name is 2-chloro-N-(2-oxopropyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(2-oxopropyl)acetamide
PubChem CID55286049
Molecular FormulaC5H8ClNO2
Molecular Weight149.58 g/mol
Exact Mass149.02
IUPAC Name2-chloro-N-(2-oxopropyl)acetamide
SMILESCC(=O)CNC(=O)CCl
InChIInChI=1S/C5H8ClNO2/c1-4(8)3-7-5(9)2-6/h2-3H2,1H3,(H,7,9)
InChIKeyIVOOEPCXVYAICH-UHFFFAOYSA-N
XLogP-0.07
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.58
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-oxopropyl)acetamide?
The IUPAC name of 2-chloro-N-(2-oxopropyl)acetamide (CID 55286049) is 2-chloro-N-(2-oxopropyl)acetamide.
What is the SMILES notation for 2-chloro-N-(2-oxopropyl)acetamide?
The canonical SMILES for 2-chloro-N-(2-oxopropyl)acetamide is CC(=O)CNC(=O)CCl.
What is the InChIKey of 2-chloro-N-(2-oxopropyl)acetamide?
The InChIKey is IVOOEPCXVYAICH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8ClNO2/c1-4(8)3-7-5(9)2-6/h2-3H2,1H3,(H,7,9).
What are the key properties of 2-chloro-N-(2-oxopropyl)acetamide?
2-chloro-N-(2-oxopropyl)acetamide has a molecular weight of 149.58 g/mol, XLogP of -0.07, 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-oxopropyl)acetamide is sourced from PubChem (CID 55286049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).