2-chloro-2-(2,6-diethylphenyl)acetamide

C12H16ClNO — CID 70479437

IUPAC2-chloro-2-(2,6-diethylphenyl)acetamide
SMILESCCc1cccc(CC)c1C(Cl)C(N)=O
InChIInChI=1S/C12H16ClNO/c1-3-8-6-5-7-9(4-2)10(8)11(13)12(14)15/h5-7,11H,3-4H2,1-2H3,(H2,14,15)
InChIKeyARCFWJGKWQVTCW-UHFFFAOYSA-N
MW225.72 g/mol
LogP2.58
Rot. Bonds4

About 2-chloro-2-(2,6-diethylphenyl)acetamide

2-chloro-2-(2,6-diethylphenyl)acetamide (PubChem CID 70479437) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is 2-chloro-2-(2,6-diethylphenyl)acetamide.

Molecular Properties

Compound Name2-chloro-2-(2,6-diethylphenyl)acetamide
PubChem CID70479437
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Name2-chloro-2-(2,6-diethylphenyl)acetamide
SMILESCCc1cccc(CC)c1C(Cl)C(N)=O
InChIInChI=1S/C12H16ClNO/c1-3-8-6-5-7-9(4-2)10(8)11(13)12(14)15/h5-7,11H,3-4H2,1-2H3,(H2,14,15)
InChIKeyARCFWJGKWQVTCW-UHFFFAOYSA-N
XLogP2.58
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-2-(2,6-diethoxyphenyl)acetamide
CID 70093878
2-(2-ethyl-6-methylphenyl)-3,3-dimethylbutanamide
CID 86618512
bis(1,3-diethyl-2-propan-2-ylbenzene);bis(2-methylpropane)
CID 159950653
(2R)-2-amino-2-(2-ethyl-6-fluorophenyl)ethanol
CID 130648488
(1R,2S)-1-amino-1-(2-chloro-6-ethylphenyl)propan-2-ol
CID 130692242
2-(2-ethylphenyl)butanamide
CID 69466890
2-chloro-3-(3-chloro-2-methylphenyl)propanamide
CID 82054509
2,3-diethylbenzamide;hydrofluoride
CID 175203586
carbamic acid;2,3-diethylphenol;methanamine
CID 174684713
(2-ethyl-6-iodophenyl)methanediol
CID 156529935
N-[(2,6-diethylphenyl)-methoxymethyl]-2-hydroxyacetamide
CID 134822163
2-[2-chloro-6-(hydroxymethyl)phenoxy]butanamide
CID 112612856

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-(2,6-diethylphenyl)acetamide?
The IUPAC name of 2-chloro-2-(2,6-diethylphenyl)acetamide (CID 70479437) is 2-chloro-2-(2,6-diethylphenyl)acetamide.
What is the SMILES notation for 2-chloro-2-(2,6-diethylphenyl)acetamide?
The canonical SMILES for 2-chloro-2-(2,6-diethylphenyl)acetamide is CCc1cccc(CC)c1C(Cl)C(N)=O.
What is the InChIKey of 2-chloro-2-(2,6-diethylphenyl)acetamide?
The InChIKey is ARCFWJGKWQVTCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO/c1-3-8-6-5-7-9(4-2)10(8)11(13)12(14)15/h5-7,11H,3-4H2,1-2H3,(H2,14,15).
What are the key properties of 2-chloro-2-(2,6-diethylphenyl)acetamide?
2-chloro-2-(2,6-diethylphenyl)acetamide has a molecular weight of 225.72 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-(2,6-diethylphenyl)acetamide is sourced from PubChem (CID 70479437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).