2-chloro-2-(2-chloro-3,4-dimethoxyphenyl)-N,N-diethylacetamide

C14H19Cl2NO3 — CID 63630984

IUPAC2-chloro-2-(2-chloro-3,4-dimethoxyphenyl)-N,N-diethylacetamide
SMILESCCN(CC)C(=O)C(Cl)c1ccc(OC)c(OC)c1Cl
InChIInChI=1S/C14H19Cl2NO3/c1-5-17(6-2)14(18)12(16)9-7-8-10(19-3)13(20-4)11(9)15/h7-8,12H,5-6H2,1-4H3
InChIKeyTWBODJJWTKOSDQ-UHFFFAOYSA-N
MW320.22 g/mol
LogP3.51
Rot. Bonds6

About 2-chloro-2-(2-chloro-3,4-dimethoxyphenyl)-N,N-diethylacetamide

2-chloro-2-(2-chloro-3,4-dimethoxyphenyl)-N,N-diethylacetamide (PubChem CID 63630984) has the molecular formula C14H19Cl2NO3 and a molecular weight of 320.22 g/mol. Its IUPAC name is 2-chloro-2-(2-chloro-3,4-dimethoxyphenyl)-N,N-diethylacetamide.

Molecular Properties

Compound Name2-chloro-2-(2-chloro-3,4-dimethoxyphenyl)-N,N-diethylacetamide
PubChem CID63630984
Molecular FormulaC14H19Cl2NO3
Molecular Weight320.22 g/mol
Exact Mass319.07
IUPAC Name2-chloro-2-(2-chloro-3,4-dimethoxyphenyl)-N,N-diethylacetamide
SMILESCCN(CC)C(=O)C(Cl)c1ccc(OC)c(OC)c1Cl
InChIInChI=1S/C14H19Cl2NO3/c1-5-17(6-2)14(18)12(16)9-7-8-10(19-3)13(20-4)11(9)15/h7-8,12H,5-6H2,1-4H3
InChIKeyTWBODJJWTKOSDQ-UHFFFAOYSA-N
XLogP3.51
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.22
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3-amino-3-(2-chloro-3,4-dimethoxyphenyl)propanoic acid
CID 63632709
methyl (2S)-2-amino-2-(2-chloro-3,4-dimethoxyphenyl)acetate;hydrochloride
CID 171202030
1-(2-chloro-3,4-dimethoxyphenyl)-N-ethyl-N-methylethane-1,2-diamine
CID 63631489
methyl 2-chloro-2-(2,3,4-trimethoxyphenyl)acetate
CID 62226416
2-chloro-2-(4-chlorophenyl)-N,N-diethylacetamide
CID 62225355
2-(butan-2-ylamino)-2-(2-chloro-3,4-dimethoxyphenyl)acetamide
CID 63632739
3-bromo-1-(2-chloro-3,4-dimethoxyphenyl)propane-1,2-diol
CID 171861224
methyl 4-amino-3-(2-chloro-3,4-dimethoxyphenyl)butanoate
CID 66098501
(1R,2S)-1-amino-1-(2-chloro-3,4-dimethoxyphenyl)-3-methylpentan-2-ol;hydrochloride
CID 171261628
1-(1-bromoethyl)-2-chloro-3,4-dimethoxybenzene
CID 174509995
2-chloro-2-(2,6-dichlorophenyl)-N,N-diethylacetamide
CID 55048250
2-chloro-2-(2-chloro-3,4-dimethoxyphenyl)acetonitrile
CID 63632067

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-(2-chloro-3,4-dimethoxyphenyl)-N,N-diethylacetamide?
The IUPAC name of 2-chloro-2-(2-chloro-3,4-dimethoxyphenyl)-N,N-diethylacetamide (CID 63630984) is 2-chloro-2-(2-chloro-3,4-dimethoxyphenyl)-N,N-diethylacetamide.
What is the SMILES notation for 2-chloro-2-(2-chloro-3,4-dimethoxyphenyl)-N,N-diethylacetamide?
The canonical SMILES for 2-chloro-2-(2-chloro-3,4-dimethoxyphenyl)-N,N-diethylacetamide is CCN(CC)C(=O)C(Cl)c1ccc(OC)c(OC)c1Cl.
What is the InChIKey of 2-chloro-2-(2-chloro-3,4-dimethoxyphenyl)-N,N-diethylacetamide?
The InChIKey is TWBODJJWTKOSDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2NO3/c1-5-17(6-2)14(18)12(16)9-7-8-10(19-3)13(20-4)11(9)15/h7-8,12H,5-6H2,1-4H3.
What are the key properties of 2-chloro-2-(2-chloro-3,4-dimethoxyphenyl)-N,N-diethylacetamide?
2-chloro-2-(2-chloro-3,4-dimethoxyphenyl)-N,N-diethylacetamide has a molecular weight of 320.22 g/mol, XLogP of 3.51, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-(2-chloro-3,4-dimethoxyphenyl)-N,N-diethylacetamide is sourced from PubChem (CID 63630984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).