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

C18H18ClNO3 — CID 17201772

IUPAC2-(4-chloro-2-formylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)COc2ccc(Cl)cc2C=O)c(C)c1
InChIInChI=1S/C18H18ClNO3/c1-11-6-12(2)18(13(3)7-11)20-17(22)10-23-16-5-4-15(19)8-14(16)9-21/h4-9H,10H2,1-3H3,(H,20,22)
InChIKeyMERGMBQFYLSXKW-UHFFFAOYSA-N
MW331.80 g/mol
LogP4.10
Rot. Bonds5

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

2-(4-chloro-2-formylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 17201772) has the molecular formula C18H18ClNO3 and a molecular weight of 331.80 g/mol. Its IUPAC name is 2-(4-chloro-2-formylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-formylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide
PubChem CID17201772
Molecular FormulaC18H18ClNO3
Molecular Weight331.80 g/mol
Exact Mass331.10
IUPAC Name2-(4-chloro-2-formylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)COc2ccc(Cl)cc2C=O)c(C)c1
InChIInChI=1S/C18H18ClNO3/c1-11-6-12(2)18(13(3)7-11)20-17(22)10-23-16-5-4-15(19)8-14(16)9-21/h4-9H,10H2,1-3H3,(H,20,22)
InChIKeyMERGMBQFYLSXKW-UHFFFAOYSA-N
XLogP4.10
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-formylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide
CID 7763070
2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 16548228
2-(2-bromo-4-chlorophenoxy)-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 3966844
2-(4-chloro-2,6-dimethylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide
CID 7642269
2-(4-chloro-2-methylphenoxy)-N-(2,6-dimethylphenyl)acetamide
CID 803437
2-(2-ethoxy-4-formylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide
CID 8010337
2-(4-chloro-3,5-dimethylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide
CID 873694
2-(4-chloro-2-formylphenoxy)-N-(2-propan-2-ylphenyl)acetamide
CID 28913391
2-(4-chloro-2-formylphenoxy)-N-pentan-2-ylacetamide
CID 60734519
2-(5-bromo-2-chlorophenoxy)-N-(2,4,6-trimethylphenyl)acetamide
CID 112828409
N-(2-chlorophenyl)-2-(2-formyl-4-methylphenoxy)acetamide
CID 63325346
2-(4-chloro-2-formylphenoxy)-N-(2-cyanoethyl)acetamide
CID 39050836

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-formylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of 2-(4-chloro-2-formylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide (CID 17201772) is 2-(4-chloro-2-formylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for 2-(4-chloro-2-formylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for 2-(4-chloro-2-formylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide is Cc1cc(C)c(NC(=O)COc2ccc(Cl)cc2C=O)c(C)c1.
What is the InChIKey of 2-(4-chloro-2-formylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is MERGMBQFYLSXKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO3/c1-11-6-12(2)18(13(3)7-11)20-17(22)10-23-16-5-4-15(19)8-14(16)9-21/h4-9H,10H2,1-3H3,(H,20,22).
What are the key properties of 2-(4-chloro-2-formylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide?
2-(4-chloro-2-formylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 331.80 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-formylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 17201772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).