2-chloro-N-methyl-N-(2,4,6-trimethylphenyl)acetamide

C12H16ClNO — CID 82080926

IUPAC2-chloro-N-methyl-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(N(C)C(=O)CCl)c(C)c1
InChIInChI=1S/C12H16ClNO/c1-8-5-9(2)12(10(3)6-8)14(4)11(15)7-13/h5-6H,7H2,1-4H3
InChIKeyIFCAAXULUAAIDB-UHFFFAOYSA-N
MW225.72 g/mol
LogP2.81
Rot. Bonds2

About 2-chloro-N-methyl-N-(2,4,6-trimethylphenyl)acetamide

2-chloro-N-methyl-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 82080926) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is 2-chloro-N-methyl-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-methyl-N-(2,4,6-trimethylphenyl)acetamide
PubChem CID82080926
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Name2-chloro-N-methyl-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(N(C)C(=O)CCl)c(C)c1
InChIInChI=1S/C12H16ClNO/c1-8-5-9(2)12(10(3)6-8)14(4)11(15)7-13/h5-6H,7H2,1-4H3
InChIKeyIFCAAXULUAAIDB-UHFFFAOYSA-N
XLogP2.81
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-4-oxo-N-(2,4,6-trimethylphenyl)pentanamide
CID 115176780
1,3-dimethyl-1,3-bis(2,4,6-trimethylphenyl)guanidine
CID 177044470
4-amino-N,3-dimethyl-N-(2,4,6-trimethylphenyl)butanamide
CID 115156292
2-chloro-N-(5-chloro-2-methylphenyl)-N-methylacetamide
CID 82082325
N-(3-bromo-4-methylphenyl)-2-chloro-N-methylacetamide
CID 82093740
N-(4-bromo-3-methylphenyl)-2-chloro-N-methylacetamide
CID 82093743
3-chloro-N-methyl-N-(2,3,5,6-tetramethylphenyl)propanamide
CID 115162405
2,2-dimethyl-3-oxo-3-(N,2,4,6-tetramethylanilino)propanoic acid
CID 115163983
N-(2-methoxy-4,6-dimethylphenyl)-N-methyl-2-(methylamino)acetamide
CID 82496838
2-chloro-N-(2,4-dimethylphenyl)-N-ethylacetamide
CID 131561562
2-chloro-N-(3,5-dimethoxyphenyl)-N-methylacetamide
CID 166414676
4-hydroxy-N-(2-methoxy-4,6-dimethylphenyl)-N-methylbutanamide
CID 115162917

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-N-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of 2-chloro-N-methyl-N-(2,4,6-trimethylphenyl)acetamide (CID 82080926) is 2-chloro-N-methyl-N-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for 2-chloro-N-methyl-N-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for 2-chloro-N-methyl-N-(2,4,6-trimethylphenyl)acetamide is Cc1cc(C)c(N(C)C(=O)CCl)c(C)c1.
What is the InChIKey of 2-chloro-N-methyl-N-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is IFCAAXULUAAIDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO/c1-8-5-9(2)12(10(3)6-8)14(4)11(15)7-13/h5-6H,7H2,1-4H3.
What are the key properties of 2-chloro-N-methyl-N-(2,4,6-trimethylphenyl)acetamide?
2-chloro-N-methyl-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 225.72 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-N-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 82080926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).