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

C6H11ClN2O2 — CID 43216348

IUPAC2-[(2-chloroacetyl)-methylamino]-N-methylacetamide
SMILESCNC(=O)CN(C)C(=O)CCl
InChIInChI=1S/C6H11ClN2O2/c1-8-5(10)4-9(2)6(11)3-7/h3-4H2,1-2H3,(H,8,10)
InChIKeyUISPHLFNMJTOOQ-UHFFFAOYSA-N
MW178.62 g/mol
LogP-0.57
Rot. Bonds3

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

2-[(2-chloroacetyl)-methylamino]-N-methylacetamide (PubChem CID 43216348) has the molecular formula C6H11ClN2O2 and a molecular weight of 178.62 g/mol. Its IUPAC name is 2-[(2-chloroacetyl)-methylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[(2-chloroacetyl)-methylamino]-N-methylacetamide
PubChem CID43216348
Molecular FormulaC6H11ClN2O2
Molecular Weight178.62 g/mol
Exact Mass178.05
IUPAC Name2-[(2-chloroacetyl)-methylamino]-N-methylacetamide
SMILESCNC(=O)CN(C)C(=O)CCl
InChIInChI=1S/C6H11ClN2O2/c1-8-5(10)4-9(2)6(11)3-7/h3-4H2,1-2H3,(H,8,10)
InChIKeyUISPHLFNMJTOOQ-UHFFFAOYSA-N
XLogP-0.57
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.62
LogP ≤ 5-0.57
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-[(2-chloroacetyl)-methylamino]-N-methylacetamide?
The IUPAC name of 2-[(2-chloroacetyl)-methylamino]-N-methylacetamide (CID 43216348) is 2-[(2-chloroacetyl)-methylamino]-N-methylacetamide.
What is the SMILES notation for 2-[(2-chloroacetyl)-methylamino]-N-methylacetamide?
The canonical SMILES for 2-[(2-chloroacetyl)-methylamino]-N-methylacetamide is CNC(=O)CN(C)C(=O)CCl.
What is the InChIKey of 2-[(2-chloroacetyl)-methylamino]-N-methylacetamide?
The InChIKey is UISPHLFNMJTOOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11ClN2O2/c1-8-5(10)4-9(2)6(11)3-7/h3-4H2,1-2H3,(H,8,10).
What are the key properties of 2-[(2-chloroacetyl)-methylamino]-N-methylacetamide?
2-[(2-chloroacetyl)-methylamino]-N-methylacetamide has a molecular weight of 178.62 g/mol, XLogP of -0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloroacetyl)-methylamino]-N-methylacetamide is sourced from PubChem (CID 43216348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).