N-(2-acetyl-6-methylphenyl)-2,2,2-trichloroacetamide

C11H10Cl3NO2 — CID 89495609

IUPACN-(2-acetyl-6-methylphenyl)-2,2,2-trichloroacetamide
SMILESCC(=O)c1cccc(C)c1NC(=O)C(Cl)(Cl)Cl
InChIInChI=1S/C11H10Cl3NO2/c1-6-4-3-5-8(7(2)16)9(6)15-10(17)11(12,13)14/h3-5H,1-2H3,(H,15,17)
InChIKeyXDEZCRGSLSRVBU-UHFFFAOYSA-N
MW294.57 g/mol
LogP3.51
Rot. Bonds2

About N-(2-acetyl-6-methylphenyl)-2,2,2-trichloroacetamide

N-(2-acetyl-6-methylphenyl)-2,2,2-trichloroacetamide (PubChem CID 89495609) has the molecular formula C11H10Cl3NO2 and a molecular weight of 294.57 g/mol. Its IUPAC name is N-(2-acetyl-6-methylphenyl)-2,2,2-trichloroacetamide.

Molecular Properties

Compound NameN-(2-acetyl-6-methylphenyl)-2,2,2-trichloroacetamide
PubChem CID89495609
Molecular FormulaC11H10Cl3NO2
Molecular Weight294.57 g/mol
Exact Mass292.98
IUPAC NameN-(2-acetyl-6-methylphenyl)-2,2,2-trichloroacetamide
SMILESCC(=O)c1cccc(C)c1NC(=O)C(Cl)(Cl)Cl
InChIInChI=1S/C11H10Cl3NO2/c1-6-4-3-5-8(7(2)16)9(6)15-10(17)11(12,13)14/h3-5H,1-2H3,(H,15,17)
InChIKeyXDEZCRGSLSRVBU-UHFFFAOYSA-N
XLogP3.51
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.57
LogP ≤ 53.51
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-(chloroamino)-3-methylphenyl]ethanone
CID 141131299
1-(2-hydrazinyl-3-methylphenyl)ethanone
CID 67803006
N-(6-acetyl-2-cyano-3,4-dimethylphenyl)-2,2,2-trichloroacetamide
CID 71325366
1-(5-methylnaphthalen-1-yl)ethanone
CID 15563480
3-amino-N-(2,6-dimethylphenyl)-2,2,3-trimethylbutanamide
CID 65264581
N,N'-bis(2,6-dimethylphenyl)oxamide
CID 3764178
ethane;1-(2-methylphenyl)ethanone
CID 91374073
5-chloro-N-(2,6-dimethylphenyl)naphthalene-1-carboxamide
CID 2993699
2-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]-3-methylbenzoic acid
CID 43358371
carbanide;1-(2-methylphenyl)ethanone;tris(yttrium)
CID 160605653
methyl 4-methyl-3-[(2,2,2-trichloroacetyl)amino]thiophene-2-carboxylate
CID 2807911
N-(2,6-dimethylphenyl)-2-formamido-2-methylpropanamide
CID 5108045

Frequently Asked Questions

What is the IUPAC name of N-(2-acetyl-6-methylphenyl)-2,2,2-trichloroacetamide?
The IUPAC name of N-(2-acetyl-6-methylphenyl)-2,2,2-trichloroacetamide (CID 89495609) is N-(2-acetyl-6-methylphenyl)-2,2,2-trichloroacetamide.
What is the SMILES notation for N-(2-acetyl-6-methylphenyl)-2,2,2-trichloroacetamide?
The canonical SMILES for N-(2-acetyl-6-methylphenyl)-2,2,2-trichloroacetamide is CC(=O)c1cccc(C)c1NC(=O)C(Cl)(Cl)Cl.
What is the InChIKey of N-(2-acetyl-6-methylphenyl)-2,2,2-trichloroacetamide?
The InChIKey is XDEZCRGSLSRVBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl3NO2/c1-6-4-3-5-8(7(2)16)9(6)15-10(17)11(12,13)14/h3-5H,1-2H3,(H,15,17).
What are the key properties of N-(2-acetyl-6-methylphenyl)-2,2,2-trichloroacetamide?
N-(2-acetyl-6-methylphenyl)-2,2,2-trichloroacetamide has a molecular weight of 294.57 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetyl-6-methylphenyl)-2,2,2-trichloroacetamide is sourced from PubChem (CID 89495609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).