N-(3-acetyl-2,6-dimethylphenyl)-2-chloroacetamide

C12H14ClNO2 — CID 14722532

IUPACN-(3-acetyl-2,6-dimethylphenyl)-2-chloroacetamide
SMILESCC(=O)c1ccc(C)c(NC(=O)CCl)c1C
InChIInChI=1S/C12H14ClNO2/c1-7-4-5-10(9(3)15)8(2)12(7)14-11(16)6-13/h4-5H,6H2,1-3H3,(H,14,16)
InChIKeyIHLYGDCSKHKDKA-UHFFFAOYSA-N
MW239.70 g/mol
LogP2.68
Rot. Bonds3

About N-(3-acetyl-2,6-dimethylphenyl)-2-chloroacetamide

N-(3-acetyl-2,6-dimethylphenyl)-2-chloroacetamide (PubChem CID 14722532) has the molecular formula C12H14ClNO2 and a molecular weight of 239.70 g/mol. Its IUPAC name is N-(3-acetyl-2,6-dimethylphenyl)-2-chloroacetamide.

Molecular Properties

Compound NameN-(3-acetyl-2,6-dimethylphenyl)-2-chloroacetamide
PubChem CID14722532
Molecular FormulaC12H14ClNO2
Molecular Weight239.70 g/mol
Exact Mass239.07
IUPAC NameN-(3-acetyl-2,6-dimethylphenyl)-2-chloroacetamide
SMILESCC(=O)c1ccc(C)c(NC(=O)CCl)c1C
InChIInChI=1S/C12H14ClNO2/c1-7-4-5-10(9(3)15)8(2)12(7)14-11(16)6-13/h4-5H,6H2,1-3H3,(H,14,16)
InChIKeyIHLYGDCSKHKDKA-UHFFFAOYSA-N
XLogP2.68
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.70
LogP ≤ 52.68
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

1-(2,3,4-trimethylphenyl)ethanone
CID 590291
2-chloro-N-(6-methylpyridazin-3-yl)acetamide
CID 166407156
1-(2-chloro-3,4-dimethylphenyl)ethanone
CID 90395223
2-chloro-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 2110931
N-(3-chloro-2,6-dimethylphenyl)-2-cyanoacetamide
CID 82677698
N-(3-amino-2,6-dimethylphenyl)butanamide
CID 24711453
2-chloro-N-[2-methyl-6-(2-methylpropoxy)phenyl]acetamide
CID 14279893
N-(3-bromo-5-methyl-4-pyridinyl)-2-chloroacetamide
CID 15087754
3-(2,6-dimethylanilino)-N-(2,6-dimethylphenyl)propanamide
CID 109035764
2-chloro-N-(2,6-dimethoxyphenyl)acetamide
CID 20570575
2-chloro-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 2363774
2,4-dimethyl-3-(methylamino)benzoic acid
CID 144869616

Frequently Asked Questions

What is the IUPAC name of N-(3-acetyl-2,6-dimethylphenyl)-2-chloroacetamide?
The IUPAC name of N-(3-acetyl-2,6-dimethylphenyl)-2-chloroacetamide (CID 14722532) is N-(3-acetyl-2,6-dimethylphenyl)-2-chloroacetamide.
What is the SMILES notation for N-(3-acetyl-2,6-dimethylphenyl)-2-chloroacetamide?
The canonical SMILES for N-(3-acetyl-2,6-dimethylphenyl)-2-chloroacetamide is CC(=O)c1ccc(C)c(NC(=O)CCl)c1C.
What is the InChIKey of N-(3-acetyl-2,6-dimethylphenyl)-2-chloroacetamide?
The InChIKey is IHLYGDCSKHKDKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO2/c1-7-4-5-10(9(3)15)8(2)12(7)14-11(16)6-13/h4-5H,6H2,1-3H3,(H,14,16).
What are the key properties of N-(3-acetyl-2,6-dimethylphenyl)-2-chloroacetamide?
N-(3-acetyl-2,6-dimethylphenyl)-2-chloroacetamide has a molecular weight of 239.70 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetyl-2,6-dimethylphenyl)-2-chloroacetamide is sourced from PubChem (CID 14722532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).