2-(2-chloro-4-formyl-6-methoxyphenoxy)-N-(2,5-dichlorophenyl)acetamide

C16H12Cl3NO4 — CID 28913450

IUPAC2-(2-chloro-4-formyl-6-methoxyphenoxy)-N-(2,5-dichlorophenyl)acetamide
SMILESCOc1cc(C=O)cc(Cl)c1OCC(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C16H12Cl3NO4/c1-23-14-5-9(7-21)4-12(19)16(14)24-8-15(22)20-13-6-10(17)2-3-11(13)18/h2-7H,8H2,1H3,(H,20,22)
InChIKeyIZLBLPIJYAQPOW-UHFFFAOYSA-N
MW388.63 g/mol
LogP4.49
Rot. Bonds6

About 2-(2-chloro-4-formyl-6-methoxyphenoxy)-N-(2,5-dichlorophenyl)acetamide

2-(2-chloro-4-formyl-6-methoxyphenoxy)-N-(2,5-dichlorophenyl)acetamide (PubChem CID 28913450) has the molecular formula C16H12Cl3NO4 and a molecular weight of 388.63 g/mol. Its IUPAC name is 2-(2-chloro-4-formyl-6-methoxyphenoxy)-N-(2,5-dichlorophenyl)acetamide.

Molecular Properties

Compound Name2-(2-chloro-4-formyl-6-methoxyphenoxy)-N-(2,5-dichlorophenyl)acetamide
PubChem CID28913450
Molecular FormulaC16H12Cl3NO4
Molecular Weight388.63 g/mol
Exact Mass386.98
IUPAC Name2-(2-chloro-4-formyl-6-methoxyphenoxy)-N-(2,5-dichlorophenyl)acetamide
SMILESCOc1cc(C=O)cc(Cl)c1OCC(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C16H12Cl3NO4/c1-23-14-5-9(7-21)4-12(19)16(14)24-8-15(22)20-13-6-10(17)2-3-11(13)18/h2-7H,8H2,1H3,(H,20,22)
InChIKeyIZLBLPIJYAQPOW-UHFFFAOYSA-N
XLogP4.49
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.63
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-chloro-4-formyl-6-methoxyphenoxy)-N-(2-ethoxyphenyl)acetamide
CID 28913373
2-(2-chloro-4-formyl-6-methoxyphenoxy)-N-(3-methylphenyl)acetamide
CID 895523
2-(2-chloro-6-ethoxy-4-formylphenoxy)-N-(2-methoxy-5-methylphenyl)acetamide
CID 28913481
N-(2,5-dichlorophenyl)-2-(2-methoxy-4-methylphenoxy)acetamide
CID 35987064
2-(2-chloro-4-formyl-6-methoxyphenoxy)acetic acid
CID 957945
2-(4-formyl-2-methoxyphenoxy)-N-(2,4,5-trichlorophenyl)acetamide
CID 7894136
2-(2-chloro-4-formyl-6-methoxyphenoxy)-N-(2-methoxyethyl)acetamide
CID 43589731
N'-[(Z)-[3-chloro-4-[2-(5-chloro-2-methylanilino)-2-oxoethoxy]-5-methoxyphenyl]methylideneamino]-N-methyloxamide
CID 126169569
N-(4-chlorophenyl)-2-(4-formyl-2-iodo-6-methoxyphenoxy)acetamide
CID 17202159
2-(2,6-dichloro-4-formylphenoxy)-N-(3,5-dichlorophenyl)acetamide
CID 28913411
N'-[(Z)-[3-chloro-4-[2-(5-chloro-2-methylanilino)-2-oxoethoxy]-5-methoxyphenyl]methylideneamino]-N-propyloxamide
CID 126164442

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-formyl-6-methoxyphenoxy)-N-(2,5-dichlorophenyl)acetamide?
The IUPAC name of 2-(2-chloro-4-formyl-6-methoxyphenoxy)-N-(2,5-dichlorophenyl)acetamide (CID 28913450) is 2-(2-chloro-4-formyl-6-methoxyphenoxy)-N-(2,5-dichlorophenyl)acetamide.
What is the SMILES notation for 2-(2-chloro-4-formyl-6-methoxyphenoxy)-N-(2,5-dichlorophenyl)acetamide?
The canonical SMILES for 2-(2-chloro-4-formyl-6-methoxyphenoxy)-N-(2,5-dichlorophenyl)acetamide is COc1cc(C=O)cc(Cl)c1OCC(=O)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of 2-(2-chloro-4-formyl-6-methoxyphenoxy)-N-(2,5-dichlorophenyl)acetamide?
The InChIKey is IZLBLPIJYAQPOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl3NO4/c1-23-14-5-9(7-21)4-12(19)16(14)24-8-15(22)20-13-6-10(17)2-3-11(13)18/h2-7H,8H2,1H3,(H,20,22).
What are the key properties of 2-(2-chloro-4-formyl-6-methoxyphenoxy)-N-(2,5-dichlorophenyl)acetamide?
2-(2-chloro-4-formyl-6-methoxyphenoxy)-N-(2,5-dichlorophenyl)acetamide has a molecular weight of 388.63 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-formyl-6-methoxyphenoxy)-N-(2,5-dichlorophenyl)acetamide is sourced from PubChem (CID 28913450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).