N-(2-chloroethyl)-N-methylacetamide

C5H10ClNO — CID 63391485

IUPACN-(2-chloroethyl)-N-methylacetamide
SMILESCC(=O)N(C)CCCl
InChIInChI=1S/C5H10ClNO/c1-5(8)7(2)4-3-6/h3-4H2,1-2H3
InChIKeyGSDHXIYEJRUVTM-UHFFFAOYSA-N
MW135.59 g/mol
LogP0.70
Rot. Bonds2

About N-(2-chloroethyl)-N-methylacetamide

N-(2-chloroethyl)-N-methylacetamide (PubChem CID 63391485) has the molecular formula C5H10ClNO and a molecular weight of 135.59 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-methylacetamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-methylacetamide
PubChem CID63391485
Molecular FormulaC5H10ClNO
Molecular Weight135.59 g/mol
Exact Mass135.05
IUPAC NameN-(2-chloroethyl)-N-methylacetamide
SMILESCC(=O)N(C)CCCl
InChIInChI=1S/C5H10ClNO/c1-5(8)7(2)4-3-6/h3-4H2,1-2H3
InChIKeyGSDHXIYEJRUVTM-UHFFFAOYSA-N
XLogP0.70
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.59
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 N-(2-chloroethyl)-N-methylacetamide?
The IUPAC name of N-(2-chloroethyl)-N-methylacetamide (CID 63391485) is N-(2-chloroethyl)-N-methylacetamide.
What is the SMILES notation for N-(2-chloroethyl)-N-methylacetamide?
The canonical SMILES for N-(2-chloroethyl)-N-methylacetamide is CC(=O)N(C)CCCl.
What is the InChIKey of N-(2-chloroethyl)-N-methylacetamide?
The InChIKey is GSDHXIYEJRUVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10ClNO/c1-5(8)7(2)4-3-6/h3-4H2,1-2H3.
What are the key properties of N-(2-chloroethyl)-N-methylacetamide?
N-(2-chloroethyl)-N-methylacetamide has a molecular weight of 135.59 g/mol, XLogP of 0.70, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-methylacetamide is sourced from PubChem (CID 63391485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).