2-amino-N-(4-chloro-3-oxobutan-2-yl)acetamide

C6H11ClN2O2 — CID 134891663

IUPAC2-amino-N-(4-chloro-3-oxobutan-2-yl)acetamide
SMILESCC(NC(=O)CN)C(=O)CCl
InChIInChI=1S/C6H11ClN2O2/c1-4(5(10)2-7)9-6(11)3-8/h4H,2-3,8H2,1H3,(H,9,11)
InChIKeyHWQATCOVPUZFLY-UHFFFAOYSA-N
MW178.62 g/mol
LogP-0.74
Rot. Bonds4

About 2-amino-N-(4-chloro-3-oxobutan-2-yl)acetamide

2-amino-N-(4-chloro-3-oxobutan-2-yl)acetamide (PubChem CID 134891663) has the molecular formula C6H11ClN2O2 and a molecular weight of 178.62 g/mol. Its IUPAC name is 2-amino-N-(4-chloro-3-oxobutan-2-yl)acetamide.

Molecular Properties

Compound Name2-amino-N-(4-chloro-3-oxobutan-2-yl)acetamide
PubChem CID134891663
Molecular FormulaC6H11ClN2O2
Molecular Weight178.62 g/mol
Exact Mass178.05
IUPAC Name2-amino-N-(4-chloro-3-oxobutan-2-yl)acetamide
SMILESCC(NC(=O)CN)C(=O)CCl
InChIInChI=1S/C6H11ClN2O2/c1-4(5(10)2-7)9-6(11)3-8/h4H,2-3,8H2,1H3,(H,9,11)
InChIKeyHWQATCOVPUZFLY-UHFFFAOYSA-N
XLogP-0.74
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.62
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-amino-N-(4-chloro-3-oxobutan-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

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-chloro-3-oxobutan-2-yl)acetamide?
The IUPAC name of 2-amino-N-(4-chloro-3-oxobutan-2-yl)acetamide (CID 134891663) is 2-amino-N-(4-chloro-3-oxobutan-2-yl)acetamide.
What is the SMILES notation for 2-amino-N-(4-chloro-3-oxobutan-2-yl)acetamide?
The canonical SMILES for 2-amino-N-(4-chloro-3-oxobutan-2-yl)acetamide is CC(NC(=O)CN)C(=O)CCl.
What is the InChIKey of 2-amino-N-(4-chloro-3-oxobutan-2-yl)acetamide?
The InChIKey is HWQATCOVPUZFLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11ClN2O2/c1-4(5(10)2-7)9-6(11)3-8/h4H,2-3,8H2,1H3,(H,9,11).
What are the key properties of 2-amino-N-(4-chloro-3-oxobutan-2-yl)acetamide?
2-amino-N-(4-chloro-3-oxobutan-2-yl)acetamide has a molecular weight of 178.62 g/mol, XLogP of -0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-chloro-3-oxobutan-2-yl)acetamide is sourced from PubChem (CID 134891663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).