2-[2-[(3,5-dichloro-2-pyridinyl)oxy]anilino]-N-(2-phenoxyethyl)acetamide

C21H19Cl2N3O3 — CID 60536795

IUPAC2-[2-[(3,5-dichloro-2-pyridinyl)oxy]anilino]-N-(2-phenoxyethyl)acetamide
SMILESO=C(CNc1ccccc1Oc1ncc(Cl)cc1Cl)NCCOc1ccccc1
InChIInChI=1S/C21H19Cl2N3O3/c22-15-12-17(23)21(26-13-15)29-19-9-5-4-8-18(19)25-14-20(27)24-10-11-28-16-6-2-1-3-7-16/h1-9,12-13,25H,10-11,14H2,(H,24,27)
InChIKeyIZQCXRNFHOJNNN-UHFFFAOYSA-N
MW432.31 g/mol
LogP4.79
Rot. Bonds9

About 2-[2-[(3,5-dichloro-2-pyridinyl)oxy]anilino]-N-(2-phenoxyethyl)acetamide

2-[2-[(3,5-dichloro-2-pyridinyl)oxy]anilino]-N-(2-phenoxyethyl)acetamide (PubChem CID 60536795) has the molecular formula C21H19Cl2N3O3 and a molecular weight of 432.31 g/mol. Its IUPAC name is 2-[2-[(3,5-dichloro-2-pyridinyl)oxy]anilino]-N-(2-phenoxyethyl)acetamide.

Molecular Properties

Compound Name2-[2-[(3,5-dichloro-2-pyridinyl)oxy]anilino]-N-(2-phenoxyethyl)acetamide
PubChem CID60536795
Molecular FormulaC21H19Cl2N3O3
Molecular Weight432.31 g/mol
Exact Mass431.08
IUPAC Name2-[2-[(3,5-dichloro-2-pyridinyl)oxy]anilino]-N-(2-phenoxyethyl)acetamide
SMILESO=C(CNc1ccccc1Oc1ncc(Cl)cc1Cl)NCCOc1ccccc1
InChIInChI=1S/C21H19Cl2N3O3/c22-15-12-17(23)21(26-13-15)29-19-9-5-4-8-18(19)25-14-20(27)24-10-11-28-16-6-2-1-3-7-16/h1-9,12-13,25H,10-11,14H2,(H,24,27)
InChIKeyIZQCXRNFHOJNNN-UHFFFAOYSA-N
XLogP4.79
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.31
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[(3,5-dichloro-2-pyridinyl)oxy]anilino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 60536820
2-[2-[(3-cyano-2-pyridinyl)oxy]anilino]-N-(2-phenoxyethyl)acetamide
CID 60537702
2-[2-[(3,5-dichloro-2-pyridinyl)oxy]anilino]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 60562318
2-[2-[(3,5-dichloro-2-pyridinyl)oxy]anilino]-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]acetamide
CID 55896774
2-[2-[(3,5-dichloro-2-pyridinyl)oxy]anilino]-N-(3,4-difluorophenyl)acetamide
CID 55766468
2-[2-[(3,5-dichloro-2-pyridinyl)oxy]anilino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 60536689
N-(5-chloro-2-methylphenyl)-2-[2-(2-phenoxyethoxy)anilino]acetamide
CID 54826790
2-(5-chloro-2-methoxyanilino)-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 31525310
N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]-2-(2-hydroxyphenyl)acetamide
CID 71917205
N-(2,5-dichlorophenyl)-2-[2-(2-phenoxyethoxy)anilino]acetamide
CID 54826760
2-[2-(2-phenoxyethoxy)anilino]-N-(2,4,5-trichlorophenyl)acetamide
CID 54826934
3-amino-N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]propanamide
CID 119900876

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3,5-dichloro-2-pyridinyl)oxy]anilino]-N-(2-phenoxyethyl)acetamide?
The IUPAC name of 2-[2-[(3,5-dichloro-2-pyridinyl)oxy]anilino]-N-(2-phenoxyethyl)acetamide (CID 60536795) is 2-[2-[(3,5-dichloro-2-pyridinyl)oxy]anilino]-N-(2-phenoxyethyl)acetamide.
What is the SMILES notation for 2-[2-[(3,5-dichloro-2-pyridinyl)oxy]anilino]-N-(2-phenoxyethyl)acetamide?
The canonical SMILES for 2-[2-[(3,5-dichloro-2-pyridinyl)oxy]anilino]-N-(2-phenoxyethyl)acetamide is O=C(CNc1ccccc1Oc1ncc(Cl)cc1Cl)NCCOc1ccccc1.
What is the InChIKey of 2-[2-[(3,5-dichloro-2-pyridinyl)oxy]anilino]-N-(2-phenoxyethyl)acetamide?
The InChIKey is IZQCXRNFHOJNNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19Cl2N3O3/c22-15-12-17(23)21(26-13-15)29-19-9-5-4-8-18(19)25-14-20(27)24-10-11-28-16-6-2-1-3-7-16/h1-9,12-13,25H,10-11,14H2,(H,24,27).
What are the key properties of 2-[2-[(3,5-dichloro-2-pyridinyl)oxy]anilino]-N-(2-phenoxyethyl)acetamide?
2-[2-[(3,5-dichloro-2-pyridinyl)oxy]anilino]-N-(2-phenoxyethyl)acetamide has a molecular weight of 432.31 g/mol, XLogP of 4.79, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3,5-dichloro-2-pyridinyl)oxy]anilino]-N-(2-phenoxyethyl)acetamide is sourced from PubChem (CID 60536795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).