2-(5-formyl-2-methoxyphenoxy)-N-(2,4,5-trichlorophenyl)acetamide

C16H12Cl3NO4 — CID 7611792

IUPAC2-(5-formyl-2-methoxyphenoxy)-N-(2,4,5-trichlorophenyl)acetamide
SMILESCOc1ccc(C=O)cc1OCC(=O)Nc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C16H12Cl3NO4/c1-23-14-3-2-9(7-21)4-15(14)24-8-16(22)20-13-6-11(18)10(17)5-12(13)19/h2-7H,8H2,1H3,(H,20,22)
InChIKeyMSHBMPPZZHVFNZ-UHFFFAOYSA-N
MW388.63 g/mol
LogP4.49
Rot. Bonds6

About 2-(5-formyl-2-methoxyphenoxy)-N-(2,4,5-trichlorophenyl)acetamide

2-(5-formyl-2-methoxyphenoxy)-N-(2,4,5-trichlorophenyl)acetamide (PubChem CID 7611792) has the molecular formula C16H12Cl3NO4 and a molecular weight of 388.63 g/mol. Its IUPAC name is 2-(5-formyl-2-methoxyphenoxy)-N-(2,4,5-trichlorophenyl)acetamide.

Molecular Properties

Compound Name2-(5-formyl-2-methoxyphenoxy)-N-(2,4,5-trichlorophenyl)acetamide
PubChem CID7611792
Molecular FormulaC16H12Cl3NO4
Molecular Weight388.63 g/mol
Exact Mass386.98
IUPAC Name2-(5-formyl-2-methoxyphenoxy)-N-(2,4,5-trichlorophenyl)acetamide
SMILESCOc1ccc(C=O)cc1OCC(=O)Nc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C16H12Cl3NO4/c1-23-14-3-2-9(7-21)4-15(14)24-8-16(22)20-13-6-11(18)10(17)5-12(13)19/h2-7H,8H2,1H3,(H,20,22)
InChIKeyMSHBMPPZZHVFNZ-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'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-(4-formyl-2-methoxyphenoxy)-N-(2,4,5-trichlorophenyl)acetamide
CID 7894136
N-(3-chloro-2-methylphenyl)-2-(5-formyl-2-methoxyphenoxy)acetamide
CID 28913395
N-(3-chloro-4-methylphenyl)-2-(5-formyl-2-methoxyphenoxy)acetamide
CID 7611638
N-(3-chloro-4-fluorophenyl)-2-(5-formyl-2-methoxyphenoxy)acetamide
CID 7611560
N-(5-formyl-2-methoxyphenyl)-2-(2-methoxyphenoxy)acetamide
CID 94762984
2-(5-formyl-2-methoxyphenoxy)-N-phenylacetamide
CID 7611771
N-(4-bromophenyl)-2-(5-formyl-2-methoxyphenoxy)acetamide
CID 7611543
N-(2-ethoxy-5-formylphenyl)-2-(2-methoxyphenoxy)acetamide
CID 82156183
2-(2-bromo-4-formylphenoxy)-N-(2-methoxyphenyl)acetamide
CID 3955556
N-carbamoyl-2-(4-formyl-2-methoxyphenoxy)acetamide
CID 24694058
methyl 3-chloro-4-[2-oxo-2-(2,4,5-trichloroanilino)ethoxy]benzoate
CID 55320888
N-(4-bromo-2-chlorophenyl)-2-(2-bromo-4-formylphenoxy)acetamide
CID 23740858

Frequently Asked Questions

What is the IUPAC name of 2-(5-formyl-2-methoxyphenoxy)-N-(2,4,5-trichlorophenyl)acetamide?
The IUPAC name of 2-(5-formyl-2-methoxyphenoxy)-N-(2,4,5-trichlorophenyl)acetamide (CID 7611792) is 2-(5-formyl-2-methoxyphenoxy)-N-(2,4,5-trichlorophenyl)acetamide.
What is the SMILES notation for 2-(5-formyl-2-methoxyphenoxy)-N-(2,4,5-trichlorophenyl)acetamide?
The canonical SMILES for 2-(5-formyl-2-methoxyphenoxy)-N-(2,4,5-trichlorophenyl)acetamide is COc1ccc(C=O)cc1OCC(=O)Nc1cc(Cl)c(Cl)cc1Cl.
What is the InChIKey of 2-(5-formyl-2-methoxyphenoxy)-N-(2,4,5-trichlorophenyl)acetamide?
The InChIKey is MSHBMPPZZHVFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl3NO4/c1-23-14-3-2-9(7-21)4-15(14)24-8-16(22)20-13-6-11(18)10(17)5-12(13)19/h2-7H,8H2,1H3,(H,20,22).
What are the key properties of 2-(5-formyl-2-methoxyphenoxy)-N-(2,4,5-trichlorophenyl)acetamide?
2-(5-formyl-2-methoxyphenoxy)-N-(2,4,5-trichlorophenyl)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-(5-formyl-2-methoxyphenoxy)-N-(2,4,5-trichlorophenyl)acetamide is sourced from PubChem (CID 7611792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).