2-propan-2-yloxy-N-(2,4,6-trichlorophenyl)acetamide

C11H12Cl3NO2 — CID 112604411

IUPAC2-propan-2-yloxy-N-(2,4,6-trichlorophenyl)acetamide
SMILESCC(C)OCC(=O)Nc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C11H12Cl3NO2/c1-6(2)17-5-10(16)15-11-8(13)3-7(12)4-9(11)14/h3-4,6H,5H2,1-2H3,(H,15,16)
InChIKeyLBBHKGBAZAXXDQ-UHFFFAOYSA-N
MW296.58 g/mol
LogP4.01
Rot. Bonds4

About 2-propan-2-yloxy-N-(2,4,6-trichlorophenyl)acetamide

2-propan-2-yloxy-N-(2,4,6-trichlorophenyl)acetamide (PubChem CID 112604411) has the molecular formula C11H12Cl3NO2 and a molecular weight of 296.58 g/mol. Its IUPAC name is 2-propan-2-yloxy-N-(2,4,6-trichlorophenyl)acetamide.

Molecular Properties

Compound Name2-propan-2-yloxy-N-(2,4,6-trichlorophenyl)acetamide
PubChem CID112604411
Molecular FormulaC11H12Cl3NO2
Molecular Weight296.58 g/mol
Exact Mass294.99
IUPAC Name2-propan-2-yloxy-N-(2,4,6-trichlorophenyl)acetamide
SMILESCC(C)OCC(=O)Nc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C11H12Cl3NO2/c1-6(2)17-5-10(16)15-11-8(13)3-7(12)4-9(11)14/h3-4,6H,5H2,1-2H3,(H,15,16)
InChIKeyLBBHKGBAZAXXDQ-UHFFFAOYSA-N
XLogP4.01
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.58
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-propan-2-yloxy-N-(2,4,6-trichlorophenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-oxo-2-(2,4,6-trichloroanilino)ethyl] (E)-but-2-enoate
CID 7699128
2-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxy-N-(2,4,6-trichlorophenyl)acetamide
CID 7702368
2-(butan-2-ylamino)-N-(2,4,6-trichlorophenyl)acetamide
CID 60646938
2-(2-ethoxyphenoxy)-N-(2,4,6-trichlorophenyl)acetamide
CID 7613010
N-(2-chloro-5-methoxyphenyl)-2-propan-2-yloxyacetamide
CID 47423695
N-(5-chloro-2-methoxyphenyl)-2-propan-2-yloxyacetamide
CID 47412284
[2-oxo-2-(2,4,6-trichloroanilino)ethyl] 3-methoxy-4-propan-2-yloxybenzoate
CID 16501312
methyl 4-chloro-3-[(2-propan-2-yloxyacetyl)amino]benzoate
CID 112687194
methyl 4-[2-oxo-2-(2,4,6-trichloroanilino)ethoxy]benzoate
CID 7667580
N-[5-chloro-2-(dimethylamino)phenyl]-2-propan-2-yloxyacetamide
CID 112687413
2-(4-aminophenoxy)-N-(2,4,6-trichlorophenyl)acetamide
CID 61027526
[2-oxo-2-(2,4,6-trichloroanilino)ethyl] 2-methylbenzoate
CID 7718015

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yloxy-N-(2,4,6-trichlorophenyl)acetamide?
The IUPAC name of 2-propan-2-yloxy-N-(2,4,6-trichlorophenyl)acetamide (CID 112604411) is 2-propan-2-yloxy-N-(2,4,6-trichlorophenyl)acetamide.
What is the SMILES notation for 2-propan-2-yloxy-N-(2,4,6-trichlorophenyl)acetamide?
The canonical SMILES for 2-propan-2-yloxy-N-(2,4,6-trichlorophenyl)acetamide is CC(C)OCC(=O)Nc1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of 2-propan-2-yloxy-N-(2,4,6-trichlorophenyl)acetamide?
The InChIKey is LBBHKGBAZAXXDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl3NO2/c1-6(2)17-5-10(16)15-11-8(13)3-7(12)4-9(11)14/h3-4,6H,5H2,1-2H3,(H,15,16).
What are the key properties of 2-propan-2-yloxy-N-(2,4,6-trichlorophenyl)acetamide?
2-propan-2-yloxy-N-(2,4,6-trichlorophenyl)acetamide has a molecular weight of 296.58 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yloxy-N-(2,4,6-trichlorophenyl)acetamide is sourced from PubChem (CID 112604411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).