2-[(2-chloroacetyl)amino]-N-methylacetamide

C5H9ClN2O2 — CID 9327080

IUPAC2-[(2-chloroacetyl)amino]-N-methylacetamide
SMILESCNC(=O)CNC(=O)CCl
InChIInChI=1S/C5H9ClN2O2/c1-7-5(10)3-8-4(9)2-6/h2-3H2,1H3,(H,7,10)(H,8,9)
InChIKeyUPWQKPBFPCWESB-UHFFFAOYSA-N
MW164.59 g/mol
LogP-0.91
Rot. Bonds3

About 2-[(2-chloroacetyl)amino]-N-methylacetamide

2-[(2-chloroacetyl)amino]-N-methylacetamide (PubChem CID 9327080) has the molecular formula C5H9ClN2O2 and a molecular weight of 164.59 g/mol. Its IUPAC name is 2-[(2-chloroacetyl)amino]-N-methylacetamide.

Molecular Properties

Compound Name2-[(2-chloroacetyl)amino]-N-methylacetamide
PubChem CID9327080
Molecular FormulaC5H9ClN2O2
Molecular Weight164.59 g/mol
Exact Mass164.04
IUPAC Name2-[(2-chloroacetyl)amino]-N-methylacetamide
SMILESCNC(=O)CNC(=O)CCl
InChIInChI=1S/C5H9ClN2O2/c1-7-5(10)3-8-4(9)2-6/h2-3H2,1H3,(H,7,10)(H,8,9)
InChIKeyUPWQKPBFPCWESB-UHFFFAOYSA-N
XLogP-0.91
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.59
LogP ≤ 5-0.91
H-Bond Donors ≤ 52
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-[(2-chloroacetyl)amino]-N-methylacetamide?
The IUPAC name of 2-[(2-chloroacetyl)amino]-N-methylacetamide (CID 9327080) is 2-[(2-chloroacetyl)amino]-N-methylacetamide.
What is the SMILES notation for 2-[(2-chloroacetyl)amino]-N-methylacetamide?
The canonical SMILES for 2-[(2-chloroacetyl)amino]-N-methylacetamide is CNC(=O)CNC(=O)CCl.
What is the InChIKey of 2-[(2-chloroacetyl)amino]-N-methylacetamide?
The InChIKey is UPWQKPBFPCWESB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9ClN2O2/c1-7-5(10)3-8-4(9)2-6/h2-3H2,1H3,(H,7,10)(H,8,9).
What are the key properties of 2-[(2-chloroacetyl)amino]-N-methylacetamide?
2-[(2-chloroacetyl)amino]-N-methylacetamide has a molecular weight of 164.59 g/mol, XLogP of -0.91, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloroacetyl)amino]-N-methylacetamide is sourced from PubChem (CID 9327080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).