2-(2,6-dichloro-4-formylphenoxy)-N-(2,5-dichlorophenyl)acetamide

C15H9Cl4NO3 — CID 28913451

IUPAC2-(2,6-dichloro-4-formylphenoxy)-N-(2,5-dichlorophenyl)acetamide
SMILESO=Cc1cc(Cl)c(OCC(=O)Nc2cc(Cl)ccc2Cl)c(Cl)c1
InChIInChI=1S/C15H9Cl4NO3/c16-9-1-2-10(17)13(5-9)20-14(22)7-23-15-11(18)3-8(6-21)4-12(15)19/h1-6H,7H2,(H,20,22)
InChIKeySJVMTPDBRVTNGN-UHFFFAOYSA-N
MW393.05 g/mol
LogP5.13
Rot. Bonds5

About 2-(2,6-dichloro-4-formylphenoxy)-N-(2,5-dichlorophenyl)acetamide

2-(2,6-dichloro-4-formylphenoxy)-N-(2,5-dichlorophenyl)acetamide (PubChem CID 28913451) has the molecular formula C15H9Cl4NO3 and a molecular weight of 393.05 g/mol. Its IUPAC name is 2-(2,6-dichloro-4-formylphenoxy)-N-(2,5-dichlorophenyl)acetamide.

Molecular Properties

Compound Name2-(2,6-dichloro-4-formylphenoxy)-N-(2,5-dichlorophenyl)acetamide
PubChem CID28913451
Molecular FormulaC15H9Cl4NO3
Molecular Weight393.05 g/mol
Exact Mass390.93
IUPAC Name2-(2,6-dichloro-4-formylphenoxy)-N-(2,5-dichlorophenyl)acetamide
SMILESO=Cc1cc(Cl)c(OCC(=O)Nc2cc(Cl)ccc2Cl)c(Cl)c1
InChIInChI=1S/C15H9Cl4NO3/c16-9-1-2-10(17)13(5-9)20-14(22)7-23-15-11(18)3-8(6-21)4-12(15)19/h1-6H,7H2,(H,20,22)
InChIKeySJVMTPDBRVTNGN-UHFFFAOYSA-N
XLogP5.13
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.05
LogP ≤ 55.13
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-chloro-4-formyl-6-methoxyphenoxy)-N-(2,5-dichlorophenyl)acetamide
CID 28913450
2-(2,6-dichloro-4-formylphenoxy)-N-(3,5-dichlorophenyl)acetamide
CID 28913411
N-(2-amino-4-chlorophenyl)-2-(2,4-dichloro-6-methylphenoxy)acetamide
CID 91689111
2-(4-acetamidophenoxy)-N-(2,5-dichlorophenyl)acetamide
CID 7203488
2-(2,6-dibromo-4-formylphenoxy)-N-(2,3,4-trifluorophenyl)acetamide
CID 28913545
N-(2,5-dichlorophenyl)-2-(2-methoxy-4-methylphenoxy)acetamide
CID 35987064
N-(2,4-dichlorophenyl)-2-(2,3,4,5,6-pentachlorophenoxy)acetamide
CID 19178144
2-(2-chloro-4-formyl-6-methoxyphenoxy)-N-(2-ethoxyphenyl)acetamide
CID 28913373
2-(2-acetamidophenoxy)-N-(2,5-dichlorophenyl)acetamide
CID 7867306
2-[[2-(4-chlorophenoxy)acetyl]amino]-N-(2,5-dichlorophenyl)acetamide
CID 8502071
N-(5-chloro-2-fluorophenyl)-2-(2,4,6-trimethylphenoxy)acetamide
CID 8759054
N-(2,5-dichlorophenyl)-2-(4-nitrophenoxy)acetamide
CID 2632332

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichloro-4-formylphenoxy)-N-(2,5-dichlorophenyl)acetamide?
The IUPAC name of 2-(2,6-dichloro-4-formylphenoxy)-N-(2,5-dichlorophenyl)acetamide (CID 28913451) is 2-(2,6-dichloro-4-formylphenoxy)-N-(2,5-dichlorophenyl)acetamide.
What is the SMILES notation for 2-(2,6-dichloro-4-formylphenoxy)-N-(2,5-dichlorophenyl)acetamide?
The canonical SMILES for 2-(2,6-dichloro-4-formylphenoxy)-N-(2,5-dichlorophenyl)acetamide is O=Cc1cc(Cl)c(OCC(=O)Nc2cc(Cl)ccc2Cl)c(Cl)c1.
What is the InChIKey of 2-(2,6-dichloro-4-formylphenoxy)-N-(2,5-dichlorophenyl)acetamide?
The InChIKey is SJVMTPDBRVTNGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl4NO3/c16-9-1-2-10(17)13(5-9)20-14(22)7-23-15-11(18)3-8(6-21)4-12(15)19/h1-6H,7H2,(H,20,22).
What are the key properties of 2-(2,6-dichloro-4-formylphenoxy)-N-(2,5-dichlorophenyl)acetamide?
2-(2,6-dichloro-4-formylphenoxy)-N-(2,5-dichlorophenyl)acetamide has a molecular weight of 393.05 g/mol, XLogP of 5.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichloro-4-formylphenoxy)-N-(2,5-dichlorophenyl)acetamide is sourced from PubChem (CID 28913451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).