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

C16H12Cl3NO4 — CID 7894136

IUPAC2-(4-formyl-2-methoxyphenoxy)-N-(2,4,5-trichlorophenyl)acetamide
SMILESCOc1cc(C=O)ccc1OCC(=O)Nc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C16H12Cl3NO4/c1-23-15-4-9(7-21)2-3-14(15)24-8-16(22)20-13-6-11(18)10(17)5-12(13)19/h2-7H,8H2,1H3,(H,20,22)
InChIKeyVLHPGYKYGOYMGZ-UHFFFAOYSA-N
MW388.63 g/mol
LogP4.49
Rot. Bonds6

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

2-(4-formyl-2-methoxyphenoxy)-N-(2,4,5-trichlorophenyl)acetamide (PubChem CID 7894136) has the molecular formula C16H12Cl3NO4 and a molecular weight of 388.63 g/mol. Its IUPAC name is 2-(4-formyl-2-methoxyphenoxy)-N-(2,4,5-trichlorophenyl)acetamide.

Molecular Properties

Compound Name2-(4-formyl-2-methoxyphenoxy)-N-(2,4,5-trichlorophenyl)acetamide
PubChem CID7894136
Molecular FormulaC16H12Cl3NO4
Molecular Weight388.63 g/mol
Exact Mass386.98
IUPAC Name2-(4-formyl-2-methoxyphenoxy)-N-(2,4,5-trichlorophenyl)acetamide
SMILESCOc1cc(C=O)ccc1OCC(=O)Nc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C16H12Cl3NO4/c1-23-15-4-9(7-21)2-3-14(15)24-8-16(22)20-13-6-11(18)10(17)5-12(13)19/h2-7H,8H2,1H3,(H,20,22)
InChIKeyVLHPGYKYGOYMGZ-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-(5-formyl-2-methoxyphenoxy)-N-(2,4,5-trichlorophenyl)acetamide
CID 7611792
N-(3-chloro-2-methylphenyl)-2-(5-formyl-2-methoxyphenoxy)acetamide
CID 28913395
N-(5-formyl-2-methoxyphenyl)-2-(2-methoxyphenoxy)acetamide
CID 94762984
N-(5-chloro-2,4-dimethoxyphenyl)-2-[2-methoxy-4-[(Z)-prop-1-enyl]phenoxy]acetamide
CID 97426363
N-carbamoyl-2-(4-formyl-2-methoxyphenoxy)acetamide
CID 24694058
methyl 2-(4-formyl-2-methoxyphenoxy)acetate
CID 882523
N-(2,6-dibromo-4-methylphenyl)-2-(4-formyl-2-methoxyphenoxy)acetamide
CID 26217987
2-(2-chloro-4-formyl-6-methoxyphenoxy)-N-(2,5-dichlorophenyl)acetamide
CID 28913450
N-(3-chloro-4-methylphenyl)-2-(5-formyl-2-methoxyphenoxy)acetamide
CID 7611638
N-(2-chloro-4-fluorophenyl)-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide
CID 26692807
2-(2-bromo-4-formylphenoxy)-N-(2-methoxyphenyl)acetamide
CID 3955556
N-(4-bromo-2,6-dimethylphenyl)-2-(4-formyl-2-methoxyphenoxy)acetamide
CID 17201671

Frequently Asked Questions

What is the IUPAC name of 2-(4-formyl-2-methoxyphenoxy)-N-(2,4,5-trichlorophenyl)acetamide?
The IUPAC name of 2-(4-formyl-2-methoxyphenoxy)-N-(2,4,5-trichlorophenyl)acetamide (CID 7894136) is 2-(4-formyl-2-methoxyphenoxy)-N-(2,4,5-trichlorophenyl)acetamide.
What is the SMILES notation for 2-(4-formyl-2-methoxyphenoxy)-N-(2,4,5-trichlorophenyl)acetamide?
The canonical SMILES for 2-(4-formyl-2-methoxyphenoxy)-N-(2,4,5-trichlorophenyl)acetamide is COc1cc(C=O)ccc1OCC(=O)Nc1cc(Cl)c(Cl)cc1Cl.
What is the InChIKey of 2-(4-formyl-2-methoxyphenoxy)-N-(2,4,5-trichlorophenyl)acetamide?
The InChIKey is VLHPGYKYGOYMGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl3NO4/c1-23-15-4-9(7-21)2-3-14(15)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-(4-formyl-2-methoxyphenoxy)-N-(2,4,5-trichlorophenyl)acetamide?
2-(4-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-(4-formyl-2-methoxyphenoxy)-N-(2,4,5-trichlorophenyl)acetamide is sourced from PubChem (CID 7894136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).