4-(4-methoxyphenoxy)-N-(2,4,5-trichlorophenyl)butanamide

C17H16Cl3NO3 — CID 21367956

IUPAC4-(4-methoxyphenoxy)-N-(2,4,5-trichlorophenyl)butanamide
SMILESCOc1ccc(OCCCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1
InChIInChI=1S/C17H16Cl3NO3/c1-23-11-4-6-12(7-5-11)24-8-2-3-17(22)21-16-10-14(19)13(18)9-15(16)20/h4-7,9-10H,2-3,8H2,1H3,(H,21,22)
InChIKeyFZQPHZCHMOUIDU-UHFFFAOYSA-N
MW388.68 g/mol
LogP5.45
Rot. Bonds7

About 4-(4-methoxyphenoxy)-N-(2,4,5-trichlorophenyl)butanamide

4-(4-methoxyphenoxy)-N-(2,4,5-trichlorophenyl)butanamide (PubChem CID 21367956) has the molecular formula C17H16Cl3NO3 and a molecular weight of 388.68 g/mol. Its IUPAC name is 4-(4-methoxyphenoxy)-N-(2,4,5-trichlorophenyl)butanamide.

Molecular Properties

Compound Name4-(4-methoxyphenoxy)-N-(2,4,5-trichlorophenyl)butanamide
PubChem CID21367956
Molecular FormulaC17H16Cl3NO3
Molecular Weight388.68 g/mol
Exact Mass387.02
IUPAC Name4-(4-methoxyphenoxy)-N-(2,4,5-trichlorophenyl)butanamide
SMILESCOc1ccc(OCCCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1
InChIInChI=1S/C17H16Cl3NO3/c1-23-11-4-6-12(7-5-11)24-8-2-3-17(22)21-16-10-14(19)13(18)9-15(16)20/h4-7,9-10H,2-3,8H2,1H3,(H,21,22)
InChIKeyFZQPHZCHMOUIDU-UHFFFAOYSA-N
XLogP5.45
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.68
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-(2-chloro-4-methoxyphenyl)-4-methoxybutanamide
CID 86858023
N-(2-chloro-5-methoxyphenyl)-3-(3,5-dimethylphenoxy)propanamide
CID 17034684
N-(4-chloro-2,5-dimethoxyphenyl)-4-(4-fluorophenoxy)butanamide
CID 86919968
4-(2-aminophenoxy)-N-(2,4,5-trichlorophenyl)butanamide
CID 84553914
N-(5-chloro-2-pyridinyl)-4-(4-methoxyphenoxy)butanamide
CID 34134941
N-(4-bromo-2-fluorophenyl)-4-(4-methoxyphenoxy)butanamide
CID 2711543
methyl 3-hydroxy-4-[4-(4-methoxyphenoxy)butanoylamino]benzoate
CID 108767226
N-(2,4-dichlorophenyl)-4-(4-ethylphenoxy)butanamide
CID 19176294
N-(4-methoxyphenyl)-2-(2,4,5-trichloroanilino)acetamide
CID 54816512
4-butoxy-N-(2,4,5-trichlorophenyl)benzamide
CID 4936163
N-(2,5-dimethoxyphenyl)-3-(4-methoxyphenoxy)propanamide
CID 17034633
N-ethyl-4-(4-methoxyphenoxy)butanamide
CID 21173657

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenoxy)-N-(2,4,5-trichlorophenyl)butanamide?
The IUPAC name of 4-(4-methoxyphenoxy)-N-(2,4,5-trichlorophenyl)butanamide (CID 21367956) is 4-(4-methoxyphenoxy)-N-(2,4,5-trichlorophenyl)butanamide.
What is the SMILES notation for 4-(4-methoxyphenoxy)-N-(2,4,5-trichlorophenyl)butanamide?
The canonical SMILES for 4-(4-methoxyphenoxy)-N-(2,4,5-trichlorophenyl)butanamide is COc1ccc(OCCCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1.
What is the InChIKey of 4-(4-methoxyphenoxy)-N-(2,4,5-trichlorophenyl)butanamide?
The InChIKey is FZQPHZCHMOUIDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl3NO3/c1-23-11-4-6-12(7-5-11)24-8-2-3-17(22)21-16-10-14(19)13(18)9-15(16)20/h4-7,9-10H,2-3,8H2,1H3,(H,21,22).
What are the key properties of 4-(4-methoxyphenoxy)-N-(2,4,5-trichlorophenyl)butanamide?
4-(4-methoxyphenoxy)-N-(2,4,5-trichlorophenyl)butanamide has a molecular weight of 388.68 g/mol, XLogP of 5.45, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenoxy)-N-(2,4,5-trichlorophenyl)butanamide is sourced from PubChem (CID 21367956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).