2-chloro-N,N-diethylacetamide

C6H12ClNO — CID 16844

IUPAC2-chloro-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CCl
InChIInChI=1S/C6H12ClNO/c1-3-8(4-2)6(9)5-7/h3-5H2,1-2H3
InChIKeyCQQUWTMMFMJEFE-UHFFFAOYSA-N
MW149.62 g/mol
LogP1.09
Rot. Bonds3

About 2-chloro-N,N-diethylacetamide

2-chloro-N,N-diethylacetamide (PubChem CID 16844) has the molecular formula C6H12ClNO and a molecular weight of 149.62 g/mol. Its IUPAC name is 2-chloro-N,N-diethylacetamide.

Molecular Properties

Compound Name2-chloro-N,N-diethylacetamide
PubChem CID16844
Molecular FormulaC6H12ClNO
Molecular Weight149.62 g/mol
Exact Mass149.06
IUPAC Name2-chloro-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CCl
InChIInChI=1S/C6H12ClNO/c1-3-8(4-2)6(9)5-7/h3-5H2,1-2H3
InChIKeyCQQUWTMMFMJEFE-UHFFFAOYSA-N
XLogP1.09
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.62
LogP ≤ 51.09
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 2-chloro-N,N-diethylacetamide?
The IUPAC name of 2-chloro-N,N-diethylacetamide (CID 16844) is 2-chloro-N,N-diethylacetamide.
What is the SMILES notation for 2-chloro-N,N-diethylacetamide?
The canonical SMILES for 2-chloro-N,N-diethylacetamide is CCN(CC)C(=O)CCl.
What is the InChIKey of 2-chloro-N,N-diethylacetamide?
The InChIKey is CQQUWTMMFMJEFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12ClNO/c1-3-8(4-2)6(9)5-7/h3-5H2,1-2H3.
What are the key properties of 2-chloro-N,N-diethylacetamide?
2-chloro-N,N-diethylacetamide has a molecular weight of 149.62 g/mol, XLogP of 1.09, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N,N-diethylacetamide is sourced from PubChem (CID 16844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).