2-[2-(2-phenoxyethoxy)anilino]-N-(2,4,5-trichlorophenyl)acetamide

C22H19Cl3N2O3 — CID 54826934

IUPAC2-[2-(2-phenoxyethoxy)anilino]-N-(2,4,5-trichlorophenyl)acetamide
SMILESO=C(CNc1ccccc1OCCOc1ccccc1)Nc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C22H19Cl3N2O3/c23-16-12-18(25)20(13-17(16)24)27-22(28)14-26-19-8-4-5-9-21(19)30-11-10-29-15-6-2-1-3-7-15/h1-9,12-13,26H,10-11,14H2,(H,27,28)
InChIKeyCBUNDIRCNOYJFR-UHFFFAOYSA-N
MW465.76 g/mol
LogP6.16
Rot. Bonds9

About 2-[2-(2-phenoxyethoxy)anilino]-N-(2,4,5-trichlorophenyl)acetamide

2-[2-(2-phenoxyethoxy)anilino]-N-(2,4,5-trichlorophenyl)acetamide (PubChem CID 54826934) has the molecular formula C22H19Cl3N2O3 and a molecular weight of 465.76 g/mol. Its IUPAC name is 2-[2-(2-phenoxyethoxy)anilino]-N-(2,4,5-trichlorophenyl)acetamide.

Molecular Properties

Compound Name2-[2-(2-phenoxyethoxy)anilino]-N-(2,4,5-trichlorophenyl)acetamide
PubChem CID54826934
Molecular FormulaC22H19Cl3N2O3
Molecular Weight465.76 g/mol
Exact Mass464.05
IUPAC Name2-[2-(2-phenoxyethoxy)anilino]-N-(2,4,5-trichlorophenyl)acetamide
SMILESO=C(CNc1ccccc1OCCOc1ccccc1)Nc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C22H19Cl3N2O3/c23-16-12-18(25)20(13-17(16)24)27-22(28)14-26-19-8-4-5-9-21(19)30-11-10-29-15-6-2-1-3-7-15/h1-9,12-13,26H,10-11,14H2,(H,27,28)
InChIKeyCBUNDIRCNOYJFR-UHFFFAOYSA-N
XLogP6.16
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.76
LogP ≤ 56.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(2,5-dichlorophenyl)-2-[2-(2-phenoxyethoxy)anilino]acetamide
CID 54826760
2-(2-chloroanilino)-N-[2-(2-phenoxyethoxy)phenyl]acetamide
CID 54810463
N-(5-chloro-2-methylphenyl)-2-[2-(2-phenoxyethoxy)anilino]acetamide
CID 54826790
N-(3,5-dimethylphenyl)-2-[2-(2-phenoxyethoxy)anilino]acetamide
CID 54827087
N-(2-ethoxyphenyl)-2-[2-(2-phenoxyethoxy)anilino]acetamide
CID 54827090
2-(2-ethoxyanilino)-N-[2-(2-phenoxyethoxy)phenyl]acetamide
CID 54817274
N-(2-phenylmethoxyphenyl)-2-(2,4,5-trichloroanilino)acetamide
CID 54816643
2-[[2-oxo-2-[2-(2-phenoxyethoxy)anilino]ethyl]amino]benzamide
CID 54811936
2-(2-chloroanilino)-N-[3-(2-phenoxyethoxy)phenyl]acetamide
CID 54810439
2-[2-(2-phenoxyethoxy)anilino]-N-(2-propan-2-yloxyphenyl)acetamide
CID 54827093
2-(2,5-dimethoxyanilino)-N-[2-(2-phenoxyethoxy)phenyl]acetamide
CID 54814166
2-(methylamino)-N-[2-(2-phenoxyethoxy)phenyl]acetamide
CID 46995681

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-phenoxyethoxy)anilino]-N-(2,4,5-trichlorophenyl)acetamide?
The IUPAC name of 2-[2-(2-phenoxyethoxy)anilino]-N-(2,4,5-trichlorophenyl)acetamide (CID 54826934) is 2-[2-(2-phenoxyethoxy)anilino]-N-(2,4,5-trichlorophenyl)acetamide.
What is the SMILES notation for 2-[2-(2-phenoxyethoxy)anilino]-N-(2,4,5-trichlorophenyl)acetamide?
The canonical SMILES for 2-[2-(2-phenoxyethoxy)anilino]-N-(2,4,5-trichlorophenyl)acetamide is O=C(CNc1ccccc1OCCOc1ccccc1)Nc1cc(Cl)c(Cl)cc1Cl.
What is the InChIKey of 2-[2-(2-phenoxyethoxy)anilino]-N-(2,4,5-trichlorophenyl)acetamide?
The InChIKey is CBUNDIRCNOYJFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19Cl3N2O3/c23-16-12-18(25)20(13-17(16)24)27-22(28)14-26-19-8-4-5-9-21(19)30-11-10-29-15-6-2-1-3-7-15/h1-9,12-13,26H,10-11,14H2,(H,27,28).
What are the key properties of 2-[2-(2-phenoxyethoxy)anilino]-N-(2,4,5-trichlorophenyl)acetamide?
2-[2-(2-phenoxyethoxy)anilino]-N-(2,4,5-trichlorophenyl)acetamide has a molecular weight of 465.76 g/mol, XLogP of 6.16, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-phenoxyethoxy)anilino]-N-(2,4,5-trichlorophenyl)acetamide is sourced from PubChem (CID 54826934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).