2-[(2-chloroacetyl)amino]-N-(2-oxoethyl)acetamide

C6H9ClN2O3 — CID 173312497

IUPAC2-[(2-chloroacetyl)amino]-N-(2-oxoethyl)acetamide
SMILESO=CCNC(=O)CNC(=O)CCl
InChIInChI=1S/C6H9ClN2O3/c7-3-5(11)9-4-6(12)8-1-2-10/h2H,1,3-4H2,(H,8,12)(H,9,11)
InChIKeyKZIZOJVJGWEDLQ-UHFFFAOYSA-N
MW192.60 g/mol
LogP-1.34
Rot. Bonds5

About 2-[(2-chloroacetyl)amino]-N-(2-oxoethyl)acetamide

2-[(2-chloroacetyl)amino]-N-(2-oxoethyl)acetamide (PubChem CID 173312497) has the molecular formula C6H9ClN2O3 and a molecular weight of 192.60 g/mol. Its IUPAC name is 2-[(2-chloroacetyl)amino]-N-(2-oxoethyl)acetamide.

Molecular Properties

Compound Name2-[(2-chloroacetyl)amino]-N-(2-oxoethyl)acetamide
PubChem CID173312497
Molecular FormulaC6H9ClN2O3
Molecular Weight192.60 g/mol
Exact Mass192.03
IUPAC Name2-[(2-chloroacetyl)amino]-N-(2-oxoethyl)acetamide
SMILESO=CCNC(=O)CNC(=O)CCl
InChIInChI=1S/C6H9ClN2O3/c7-3-5(11)9-4-6(12)8-1-2-10/h2H,1,3-4H2,(H,8,12)(H,9,11)
InChIKeyKZIZOJVJGWEDLQ-UHFFFAOYSA-N
XLogP-1.34
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.60
LogP ≤ 5-1.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[2-oxo-2-[[2-oxo-2-[[2-oxo-2-[[2-oxo-2-[[2-oxo-2-[[2-oxo-2-[[2-oxo-2-(2-oxoethylamino)ethyl]amino]ethyl]amino]ethyl]amino]ethyl]amino]ethyl]amino]ethyl]amino]ethyl]acetamide
CID 122707091
2-[(2-chloroacetyl)amino]acetamide
CID 28605345
2-(2-hydroxypropylamino)-N-(2-oxoethyl)acetamide
CID 156750692
diethyl 2-[[2-[(2-chloroacetyl)amino]acetyl]amino]propanedioate
CID 15053734
2-[(4-methyl-1-oxopentan-2-yl)amino]-N-(2-oxoethyl)acetamide
CID 144519376
2-[[(E)-4-chlorobut-2-enyl]amino]-N-ethylacetamide
CID 81429794
4-oxo-4-[[3-oxo-3-[[2-oxo-2-(2-oxoethylamino)ethyl]amino]propyl]amino]-3-pentan-3-ylsulfanylbutanoic acid
CID 166804908
N-ethyl-N'-(2-oxoethyl)pentanediamide
CID 138599289
2-chloro-N-[(E)-pent-3-enyl]acetamide
CID 115879893
2-chloro-N-(iodomethyl)acetamide
CID 89347854
4-(2-azatricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-9-yn-2-yl)-4-oxo-N-[2-oxo-2-[[2-oxo-2-(2-oxoethylamino)ethyl]amino]ethyl]butanamide
CID 155030185
N-[2-[(2-chloroacetyl)amino]ethyl]-2-methylpropanamide
CID 61251740

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloroacetyl)amino]-N-(2-oxoethyl)acetamide?
The IUPAC name of 2-[(2-chloroacetyl)amino]-N-(2-oxoethyl)acetamide (CID 173312497) is 2-[(2-chloroacetyl)amino]-N-(2-oxoethyl)acetamide.
What is the SMILES notation for 2-[(2-chloroacetyl)amino]-N-(2-oxoethyl)acetamide?
The canonical SMILES for 2-[(2-chloroacetyl)amino]-N-(2-oxoethyl)acetamide is O=CCNC(=O)CNC(=O)CCl.
What is the InChIKey of 2-[(2-chloroacetyl)amino]-N-(2-oxoethyl)acetamide?
The InChIKey is KZIZOJVJGWEDLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClN2O3/c7-3-5(11)9-4-6(12)8-1-2-10/h2H,1,3-4H2,(H,8,12)(H,9,11).
What are the key properties of 2-[(2-chloroacetyl)amino]-N-(2-oxoethyl)acetamide?
2-[(2-chloroacetyl)amino]-N-(2-oxoethyl)acetamide has a molecular weight of 192.60 g/mol, XLogP of -1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloroacetyl)amino]-N-(2-oxoethyl)acetamide is sourced from PubChem (CID 173312497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).