2,2-dichloro-N,N-diethylacetamide

C12H22Cl4N2O2 — CID 141409453

IUPAC2,2-dichloro-N,N-diethylacetamide
SMILESCCN(CC)C(=O)C(Cl)Cl.CCN(CC)C(=O)C(Cl)Cl
InChIInChI=1S/2C6H11Cl2NO/c2*1-3-9(4-2)6(10)5(7)8/h2*5H,3-4H2,1-2H3
InChIKeyXDBMKMWAMDQGSW-UHFFFAOYSA-N
MW368.13 g/mol
LogP3.32
Rot. Bonds6

About 2,2-dichloro-N,N-diethylacetamide

2,2-dichloro-N,N-diethylacetamide (PubChem CID 141409453) has the molecular formula C12H22Cl4N2O2 and a molecular weight of 368.13 g/mol. Its IUPAC name is 2,2-dichloro-N,N-diethylacetamide.

Molecular Properties

Compound Name2,2-dichloro-N,N-diethylacetamide
PubChem CID141409453
Molecular FormulaC12H22Cl4N2O2
Molecular Weight368.13 g/mol
Exact Mass366.04
IUPAC Name2,2-dichloro-N,N-diethylacetamide
SMILESCCN(CC)C(=O)C(Cl)Cl.CCN(CC)C(=O)C(Cl)Cl
InChIInChI=1S/2C6H11Cl2NO/c2*1-3-9(4-2)6(10)5(7)8/h2*5H,3-4H2,1-2H3
InChIKeyXDBMKMWAMDQGSW-UHFFFAOYSA-N
XLogP3.32
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.13
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,2-dichloro-N,N-diethylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2-dichloro-N,N-diethylacetamide;N,N-diethylacetamide
CID 174887176
2,2-dichloro-N-ethyl-N-prop-2-enylacetamide
CID 21403921
2,2-dichloro-N-ethyl-N-(2,3,3-trichloroprop-2-enyl)acetamide
CID 20554032
N,2,2-trichloro-N-ethylacetamide
CID 88809029
2-chloro-N,N-diethylpentanamide
CID 62224091
2,2-dichloro-N,N-dihexylacetamide
CID 533320
(2S)-N,N-diethyl-2-methylbutanamide
CID 158106259
2,5-dichloro-5-(dimethylamino)-N,N-diethylpentanamide
CID 91127971
2,2-dichloro-N-prop-2-enyl-N-propylacetamide
CID 21403948
2,3-dibromo-N,N-diethylpropanamide
CID 86249575
N,N-diethyl-2-hydroxy-3-sulfanylpropanamide
CID 86078182
2-chloro-2-(4-chlorophenyl)-N,N-diethylacetamide
CID 62225355

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N,N-diethylacetamide?
The IUPAC name of 2,2-dichloro-N,N-diethylacetamide (CID 141409453) is 2,2-dichloro-N,N-diethylacetamide.
What is the SMILES notation for 2,2-dichloro-N,N-diethylacetamide?
The canonical SMILES for 2,2-dichloro-N,N-diethylacetamide is CCN(CC)C(=O)C(Cl)Cl.CCN(CC)C(=O)C(Cl)Cl.
What is the InChIKey of 2,2-dichloro-N,N-diethylacetamide?
The InChIKey is XDBMKMWAMDQGSW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H11Cl2NO/c2*1-3-9(4-2)6(10)5(7)8/h2*5H,3-4H2,1-2H3.
What are the key properties of 2,2-dichloro-N,N-diethylacetamide?
2,2-dichloro-N,N-diethylacetamide has a molecular weight of 368.13 g/mol, XLogP of 3.32, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N,N-diethylacetamide is sourced from PubChem (CID 141409453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).