2-(2,6-dichloro-4-formylphenoxy)-N-(3,5-dichlorophenyl)acetamide

C15H9Cl4NO3 — CID 28913411

IUPAC2-(2,6-dichloro-4-formylphenoxy)-N-(3,5-dichlorophenyl)acetamide
SMILESO=Cc1cc(Cl)c(OCC(=O)Nc2cc(Cl)cc(Cl)c2)c(Cl)c1
InChIInChI=1S/C15H9Cl4NO3/c16-9-3-10(17)5-11(4-9)20-14(22)7-23-15-12(18)1-8(6-21)2-13(15)19/h1-6H,7H2,(H,20,22)
InChIKeyPQVZQLDCBWEVAI-UHFFFAOYSA-N
MW393.05 g/mol
LogP5.13
Rot. Bonds5

About 2-(2,6-dichloro-4-formylphenoxy)-N-(3,5-dichlorophenyl)acetamide

2-(2,6-dichloro-4-formylphenoxy)-N-(3,5-dichlorophenyl)acetamide (PubChem CID 28913411) 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-(3,5-dichlorophenyl)acetamide.

Molecular Properties

Compound Name2-(2,6-dichloro-4-formylphenoxy)-N-(3,5-dichlorophenyl)acetamide
PubChem CID28913411
Molecular FormulaC15H9Cl4NO3
Molecular Weight393.05 g/mol
Exact Mass390.93
IUPAC Name2-(2,6-dichloro-4-formylphenoxy)-N-(3,5-dichlorophenyl)acetamide
SMILESO=Cc1cc(Cl)c(OCC(=O)Nc2cc(Cl)cc(Cl)c2)c(Cl)c1
InChIInChI=1S/C15H9Cl4NO3/c16-9-3-10(17)5-11(4-9)20-14(22)7-23-15-12(18)1-8(6-21)2-13(15)19/h1-6H,7H2,(H,20,22)
InChIKeyPQVZQLDCBWEVAI-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-(2,6-dichloro-4-formylphenoxy)-N-(2,5-dichlorophenyl)acetamide
CID 28913451
2-(2,4-dichloro-6-methylphenoxy)-N-(3,5-dimethylphenyl)acetamide
CID 1121099
2-(2-chloro-4-formyl-6-methoxyphenoxy)-N-(2,5-dichlorophenyl)acetamide
CID 28913450
2-(2-chloro-4-formyl-6-methoxyphenoxy)-N-(3-methylphenyl)acetamide
CID 895523
2-(2-chloro-4-formylphenoxy)-N-(4-chlorophenyl)acetamide
CID 7341227
N-(3-chloro-5-formylphenyl)propanamide
CID 71813664
N-(4-methoxyphenyl)-2-(2,4,6-trichlorophenoxy)acetamide
CID 7275209
4-[[2-(2,4,6-trichlorophenoxy)acetyl]amino]benzamide
CID 7894268
2-(4-bromo-2-formylphenoxy)-N-(3,5-dichlorophenyl)acetamide
CID 17202094
(E)-3-[4-[2-(3,5-dichloroanilino)-2-oxoethoxy]phenyl]prop-2-enoate
CID 7140043
2-(4-chloro-2,6-dimethylphenoxy)-N-(3-chloro-4-methylphenyl)acetamide
CID 7900401
N-(4-chlorophenyl)-2-(4-formyl-2-iodo-6-methoxyphenoxy)acetamide
CID 17202159

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichloro-4-formylphenoxy)-N-(3,5-dichlorophenyl)acetamide?
The IUPAC name of 2-(2,6-dichloro-4-formylphenoxy)-N-(3,5-dichlorophenyl)acetamide (CID 28913411) is 2-(2,6-dichloro-4-formylphenoxy)-N-(3,5-dichlorophenyl)acetamide.
What is the SMILES notation for 2-(2,6-dichloro-4-formylphenoxy)-N-(3,5-dichlorophenyl)acetamide?
The canonical SMILES for 2-(2,6-dichloro-4-formylphenoxy)-N-(3,5-dichlorophenyl)acetamide is O=Cc1cc(Cl)c(OCC(=O)Nc2cc(Cl)cc(Cl)c2)c(Cl)c1.
What is the InChIKey of 2-(2,6-dichloro-4-formylphenoxy)-N-(3,5-dichlorophenyl)acetamide?
The InChIKey is PQVZQLDCBWEVAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl4NO3/c16-9-3-10(17)5-11(4-9)20-14(22)7-23-15-12(18)1-8(6-21)2-13(15)19/h1-6H,7H2,(H,20,22).
What are the key properties of 2-(2,6-dichloro-4-formylphenoxy)-N-(3,5-dichlorophenyl)acetamide?
2-(2,6-dichloro-4-formylphenoxy)-N-(3,5-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-(3,5-dichlorophenyl)acetamide is sourced from PubChem (CID 28913411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).