3-chloro-N-(2,6-dimethylphenyl)-2-methoxypropanamide

C12H16ClNO2 — CID 57302036

IUPAC3-chloro-N-(2,6-dimethylphenyl)-2-methoxypropanamide
SMILESCOC(CCl)C(=O)Nc1c(C)cccc1C
InChIInChI=1S/C12H16ClNO2/c1-8-5-4-6-9(2)11(8)14-12(15)10(7-13)16-3/h4-6,10H,7H2,1-3H3,(H,14,15)
InChIKeyWQFSJIZNXMZBIW-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.50
Rot. Bonds4

About 3-chloro-N-(2,6-dimethylphenyl)-2-methoxypropanamide

3-chloro-N-(2,6-dimethylphenyl)-2-methoxypropanamide (PubChem CID 57302036) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is 3-chloro-N-(2,6-dimethylphenyl)-2-methoxypropanamide.

Molecular Properties

Compound Name3-chloro-N-(2,6-dimethylphenyl)-2-methoxypropanamide
PubChem CID57302036
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC Name3-chloro-N-(2,6-dimethylphenyl)-2-methoxypropanamide
SMILESCOC(CCl)C(=O)Nc1c(C)cccc1C
InChIInChI=1S/C12H16ClNO2/c1-8-5-4-6-9(2)11(8)14-12(15)10(7-13)16-3/h4-6,10H,7H2,1-3H3,(H,14,15)
InChIKeyWQFSJIZNXMZBIW-UHFFFAOYSA-N
XLogP2.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(2,6-dimethylphenyl)butanamide;hydrochloride
CID 12546861
N-(2,6-dimethylphenyl)-2-methylpentanamide
CID 2890749
2-(2,3-dimethylphenoxy)-N-(2,6-dimethylphenyl)butanamide
CID 46770326
N-(2,6-dimethylphenyl)-2-methylpropanamide;yttrium
CID 158388394
2-chloro-N-(2,6-dimethylphenyl)-3-propan-2-yloxypropanamide
CID 67892291
3-chloro-2-methyl-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 62727710
2-(2,4-dimethylphenoxy)-N-(2,6-dimethylphenyl)butanamide
CID 53288935
(2R)-N-(2,6-dimethylphenyl)-2-(2-fluorophenoxy)butanamide
CID 40746709
N,N'-bis(2,6-dimethylphenyl)oxamide
CID 3764178
sodium N-(2,6-dimethylphenyl)-2-methoxyacetamide
CID 19042259
(2S)-2-(diethylamino)-N-(2,6-dimethylphenyl)propanamide
CID 7044016
[1-(2,6-dimethylanilino)-1-oxobutan-2-yl]-triethylphosphanium;yttrium
CID 158149589

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2,6-dimethylphenyl)-2-methoxypropanamide?
The IUPAC name of 3-chloro-N-(2,6-dimethylphenyl)-2-methoxypropanamide (CID 57302036) is 3-chloro-N-(2,6-dimethylphenyl)-2-methoxypropanamide.
What is the SMILES notation for 3-chloro-N-(2,6-dimethylphenyl)-2-methoxypropanamide?
The canonical SMILES for 3-chloro-N-(2,6-dimethylphenyl)-2-methoxypropanamide is COC(CCl)C(=O)Nc1c(C)cccc1C.
What is the InChIKey of 3-chloro-N-(2,6-dimethylphenyl)-2-methoxypropanamide?
The InChIKey is WQFSJIZNXMZBIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2/c1-8-5-4-6-9(2)11(8)14-12(15)10(7-13)16-3/h4-6,10H,7H2,1-3H3,(H,14,15).
What are the key properties of 3-chloro-N-(2,6-dimethylphenyl)-2-methoxypropanamide?
3-chloro-N-(2,6-dimethylphenyl)-2-methoxypropanamide has a molecular weight of 241.72 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2,6-dimethylphenyl)-2-methoxypropanamide is sourced from PubChem (CID 57302036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).