2,2-dichloro-N,N-diethylacetamide;N,N-diethylacetamide

C12H24Cl2N2O2 — CID 174887176

IUPAC2,2-dichloro-N,N-diethylacetamide;N,N-diethylacetamide
SMILESCCN(CC)C(=O)C(Cl)Cl.CCN(CC)C(C)=O
InChIInChI=1S/C6H11Cl2NO.C6H13NO/c1-3-9(4-2)6(10)5(7)8;1-4-7(5-2)6(3)8/h5H,3-4H2,1-2H3;4-5H2,1-3H3
InChIKeyOOQKJUQJOVMIAF-UHFFFAOYSA-N
MW299.24 g/mol
LogP2.53
Rot. Bonds5

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

2,2-dichloro-N,N-diethylacetamide;N,N-diethylacetamide (PubChem CID 174887176) has the molecular formula C12H24Cl2N2O2 and a molecular weight of 299.24 g/mol. Its IUPAC name is 2,2-dichloro-N,N-diethylacetamide;N,N-diethylacetamide.

Molecular Properties

Compound Name2,2-dichloro-N,N-diethylacetamide;N,N-diethylacetamide
PubChem CID174887176
Molecular FormulaC12H24Cl2N2O2
Molecular Weight299.24 g/mol
Exact Mass298.12
IUPAC Name2,2-dichloro-N,N-diethylacetamide;N,N-diethylacetamide
SMILESCCN(CC)C(=O)C(Cl)Cl.CCN(CC)C(C)=O
InChIInChI=1S/C6H11Cl2NO.C6H13NO/c1-3-9(4-2)6(10)5(7)8;1-4-7(5-2)6(3)8/h5H,3-4H2,1-2H3;4-5H2,1-3H3
InChIKeyOOQKJUQJOVMIAF-UHFFFAOYSA-N
XLogP2.53
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.24
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2-dichloro-N,N-diethylacetamide
CID 141409453
acetic acid;N,N-diethylacetamide
CID 174447974
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
2-chloro-N-ethyl-N-(2-methylprop-2-enyl)propanamide
CID 24703589
(2S)-N,N-diethyl-2-methylbutanamide
CID 158106259
2,5-dichloro-5-(dimethylamino)-N,N-diethylpentanamide
CID 91127971
N-ethyl-N-(2-oxoethyl)acetamide
CID 23525604
N-(2-aminoethyl)-N-ethylacetamide
CID 23084474

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N,N-diethylacetamide;N,N-diethylacetamide?
The IUPAC name of 2,2-dichloro-N,N-diethylacetamide;N,N-diethylacetamide (CID 174887176) is 2,2-dichloro-N,N-diethylacetamide;N,N-diethylacetamide.
What is the SMILES notation for 2,2-dichloro-N,N-diethylacetamide;N,N-diethylacetamide?
The canonical SMILES for 2,2-dichloro-N,N-diethylacetamide;N,N-diethylacetamide is CCN(CC)C(=O)C(Cl)Cl.CCN(CC)C(C)=O.
What is the InChIKey of 2,2-dichloro-N,N-diethylacetamide;N,N-diethylacetamide?
The InChIKey is OOQKJUQJOVMIAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11Cl2NO.C6H13NO/c1-3-9(4-2)6(10)5(7)8;1-4-7(5-2)6(3)8/h5H,3-4H2,1-2H3;4-5H2,1-3H3.
What are the key properties of 2,2-dichloro-N,N-diethylacetamide;N,N-diethylacetamide?
2,2-dichloro-N,N-diethylacetamide;N,N-diethylacetamide has a molecular weight of 299.24 g/mol, XLogP of 2.53, 5 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;N,N-diethylacetamide is sourced from PubChem (CID 174887176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).