2-chloro-2-(2,6-dichlorophenyl)-N,N-diethylacetamide

C12H14Cl3NO — CID 55048250

IUPAC2-chloro-2-(2,6-dichlorophenyl)-N,N-diethylacetamide
SMILESCCN(CC)C(=O)C(Cl)c1c(Cl)cccc1Cl
InChIInChI=1S/C12H14Cl3NO/c1-3-16(4-2)12(17)11(15)10-8(13)6-5-7-9(10)14/h5-7,11H,3-4H2,1-2H3
InChIKeyPQNKWFRTBRIIDA-UHFFFAOYSA-N
MW294.61 g/mol
LogP4.14
Rot. Bonds4

About 2-chloro-2-(2,6-dichlorophenyl)-N,N-diethylacetamide

2-chloro-2-(2,6-dichlorophenyl)-N,N-diethylacetamide (PubChem CID 55048250) has the molecular formula C12H14Cl3NO and a molecular weight of 294.61 g/mol. Its IUPAC name is 2-chloro-2-(2,6-dichlorophenyl)-N,N-diethylacetamide.

Molecular Properties

Compound Name2-chloro-2-(2,6-dichlorophenyl)-N,N-diethylacetamide
PubChem CID55048250
Molecular FormulaC12H14Cl3NO
Molecular Weight294.61 g/mol
Exact Mass293.01
IUPAC Name2-chloro-2-(2,6-dichlorophenyl)-N,N-diethylacetamide
SMILESCCN(CC)C(=O)C(Cl)c1c(Cl)cccc1Cl
InChIInChI=1S/C12H14Cl3NO/c1-3-16(4-2)12(17)11(15)10-8(13)6-5-7-9(10)14/h5-7,11H,3-4H2,1-2H3
InChIKeyPQNKWFRTBRIIDA-UHFFFAOYSA-N
XLogP4.14
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.61
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-chloro-2-(2,6-dichlorophenyl)-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-chloro-2-(4-chlorophenyl)-N,N-diethylacetamide
CID 62225355
2-(2,6-dichlorophenyl)-N,N-diethyl-2-piperazin-1-ylacetamide
CID 83977846
2-chloro-N,N-diethyl-2-(4-phenylphenyl)acetamide
CID 62225537
4-amino-2-(2-chlorophenyl)-N,N-diethylbutanamide
CID 112517449
2-chloro-N,N-diethyl-6-methylsulfanylbenzamide
CID 71442782
2-chloro-N,N-diethyl-2-[4-(trifluoromethyl)phenyl]acetamide
CID 62225357
2,2-dichloro-N,N-diethylacetamide
CID 141409453
3-chloro-N,N-diethyl-2-hydroxybenzamide
CID 68591956
2-chloro-2-(3,5-difluorophenyl)-N,N-diethylacetamide
CID 106531991
2-chloro-2-[(2-chlorophenyl)methylideneamino]oxy-N,N-diethylacetamide
CID 173428303
2-chloro-N-ethyl-6-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide
CID 79381925
2-chloro-2-(2-chloro-3,4-dimethoxyphenyl)-N,N-diethylacetamide
CID 63630984

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-(2,6-dichlorophenyl)-N,N-diethylacetamide?
The IUPAC name of 2-chloro-2-(2,6-dichlorophenyl)-N,N-diethylacetamide (CID 55048250) is 2-chloro-2-(2,6-dichlorophenyl)-N,N-diethylacetamide.
What is the SMILES notation for 2-chloro-2-(2,6-dichlorophenyl)-N,N-diethylacetamide?
The canonical SMILES for 2-chloro-2-(2,6-dichlorophenyl)-N,N-diethylacetamide is CCN(CC)C(=O)C(Cl)c1c(Cl)cccc1Cl.
What is the InChIKey of 2-chloro-2-(2,6-dichlorophenyl)-N,N-diethylacetamide?
The InChIKey is PQNKWFRTBRIIDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl3NO/c1-3-16(4-2)12(17)11(15)10-8(13)6-5-7-9(10)14/h5-7,11H,3-4H2,1-2H3.
What are the key properties of 2-chloro-2-(2,6-dichlorophenyl)-N,N-diethylacetamide?
2-chloro-2-(2,6-dichlorophenyl)-N,N-diethylacetamide has a molecular weight of 294.61 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-(2,6-dichlorophenyl)-N,N-diethylacetamide is sourced from PubChem (CID 55048250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).