2-(4-chloro-2-formylphenoxy)-N-(2-propan-2-ylphenyl)acetamide

C18H18ClNO3 — CID 28913391

IUPAC2-(4-chloro-2-formylphenoxy)-N-(2-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccccc1NC(=O)COc1ccc(Cl)cc1C=O
InChIInChI=1S/C18H18ClNO3/c1-12(2)15-5-3-4-6-16(15)20-18(22)11-23-17-8-7-14(19)9-13(17)10-21/h3-10,12H,11H2,1-2H3,(H,20,22)
InChIKeyJFHVPSXNMHCFBF-UHFFFAOYSA-N
MW331.80 g/mol
LogP4.29
Rot. Bonds6

About 2-(4-chloro-2-formylphenoxy)-N-(2-propan-2-ylphenyl)acetamide

2-(4-chloro-2-formylphenoxy)-N-(2-propan-2-ylphenyl)acetamide (PubChem CID 28913391) 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-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-formylphenoxy)-N-(2-propan-2-ylphenyl)acetamide
PubChem CID28913391
Molecular FormulaC18H18ClNO3
Molecular Weight331.80 g/mol
Exact Mass331.10
IUPAC Name2-(4-chloro-2-formylphenoxy)-N-(2-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccccc1NC(=O)COc1ccc(Cl)cc1C=O
InChIInChI=1S/C18H18ClNO3/c1-12(2)15-5-3-4-6-16(15)20-18(22)11-23-17-8-7-14(19)9-13(17)10-21/h3-10,12H,11H2,1-2H3,(H,20,22)
InChIKeyJFHVPSXNMHCFBF-UHFFFAOYSA-N
XLogP4.29
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 54.29
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-oxo-2-(2-propan-2-ylanilino)ethyl] 2-(2,4-dichlorophenoxy)acetate
CID 2378781
[2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-(2-formylphenoxy)acetate
CID 8609788
N-(2-chlorophenyl)-2-(2-formyl-4-methylphenoxy)acetamide
CID 63325346
2-(2-chloro-5-methylphenoxy)-N-(2-propan-2-ylphenyl)acetamide
CID 7642804
2-(2-hydroxyphenoxy)-N-(2-propan-2-ylphenyl)acetamide
CID 78781647
[2-oxo-2-(2-propan-2-ylanilino)ethyl] (2S)-2-(2,4-dichlorophenoxy)propanoate
CID 7872987
2-(2,3,4,5,6-pentachlorophenoxy)-N-(2-propan-2-ylphenyl)acetamide
CID 19178086
2-(4-chloro-2-formylphenoxy)-N-pentan-2-ylacetamide
CID 60734519
2-(4-chloro-2-formylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide
CID 17201772
2-(4-bromo-2-formylphenoxy)-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 7819961
N-[2,6-di(propan-2-yl)phenyl]-2-(2-formylphenoxy)acetamide
CID 7762730
2-phenoxy-N-(2-propan-2-ylphenyl)acetamide
CID 723304

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-formylphenoxy)-N-(2-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-(4-chloro-2-formylphenoxy)-N-(2-propan-2-ylphenyl)acetamide (CID 28913391) is 2-(4-chloro-2-formylphenoxy)-N-(2-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-(4-chloro-2-formylphenoxy)-N-(2-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-(4-chloro-2-formylphenoxy)-N-(2-propan-2-ylphenyl)acetamide is CC(C)c1ccccc1NC(=O)COc1ccc(Cl)cc1C=O.
What is the InChIKey of 2-(4-chloro-2-formylphenoxy)-N-(2-propan-2-ylphenyl)acetamide?
The InChIKey is JFHVPSXNMHCFBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO3/c1-12(2)15-5-3-4-6-16(15)20-18(22)11-23-17-8-7-14(19)9-13(17)10-21/h3-10,12H,11H2,1-2H3,(H,20,22).
What are the key properties of 2-(4-chloro-2-formylphenoxy)-N-(2-propan-2-ylphenyl)acetamide?
2-(4-chloro-2-formylphenoxy)-N-(2-propan-2-ylphenyl)acetamide has a molecular weight of 331.80 g/mol, XLogP of 4.29, 6 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-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 28913391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).