2-[2-[(3,5-dichloro-2-pyridinyl)oxy]anilino]-N-[(4-methoxyphenyl)methyl]acetamide

C21H19Cl2N3O3 — CID 60536820

IUPAC2-[2-[(3,5-dichloro-2-pyridinyl)oxy]anilino]-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)CNc2ccccc2Oc2ncc(Cl)cc2Cl)cc1
InChIInChI=1S/C21H19Cl2N3O3/c1-28-16-8-6-14(7-9-16)11-25-20(27)13-24-18-4-2-3-5-19(18)29-21-17(23)10-15(22)12-26-21/h2-10,12,24H,11,13H2,1H3,(H,25,27)
InChIKeyQHWZBMSDCXVTRL-UHFFFAOYSA-N
MW432.31 g/mol
LogP4.92
Rot. Bonds8

About 2-[2-[(3,5-dichloro-2-pyridinyl)oxy]anilino]-N-[(4-methoxyphenyl)methyl]acetamide

2-[2-[(3,5-dichloro-2-pyridinyl)oxy]anilino]-N-[(4-methoxyphenyl)methyl]acetamide (PubChem CID 60536820) 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-[(4-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[2-[(3,5-dichloro-2-pyridinyl)oxy]anilino]-N-[(4-methoxyphenyl)methyl]acetamide
PubChem CID60536820
Molecular FormulaC21H19Cl2N3O3
Molecular Weight432.31 g/mol
Exact Mass431.08
IUPAC Name2-[2-[(3,5-dichloro-2-pyridinyl)oxy]anilino]-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)CNc2ccccc2Oc2ncc(Cl)cc2Cl)cc1
InChIInChI=1S/C21H19Cl2N3O3/c1-28-16-8-6-14(7-9-16)11-25-20(27)13-24-18-4-2-3-5-19(18)29-21-17(23)10-15(22)12-26-21/h2-10,12,24H,11,13H2,1H3,(H,25,27)
InChIKeyQHWZBMSDCXVTRL-UHFFFAOYSA-N
XLogP4.92
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.31
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[(3,5-dichloro-2-pyridinyl)oxy]anilino]-N-(2-phenoxyethyl)acetamide
CID 60536795
2-[2-[(3,5-dichloro-2-pyridinyl)oxy]anilino]-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]acetamide
CID 55896774
N-[(4-methoxyphenyl)methyl]-2-(2-phenylmethoxyanilino)acetamide
CID 54827829
2-[2-[(3,5-dichloro-2-pyridinyl)oxy]anilino]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 60562318
2-(2-chloro-4-fluoroanilino)-N-[(4-methoxyphenyl)methyl]acetamide
CID 26437643
N-[(3-methoxyphenyl)methyl]-2-(2-phenoxyanilino)acetamide
CID 31525744
2-[2-[(3,5-dichloro-2-pyridinyl)oxy]anilino]-N-(3,4-difluorophenyl)acetamide
CID 55766468
N-[(2,4-dichlorophenyl)methyl]-2-(2-methoxyanilino)acetamide
CID 9345203
N'-(2-chlorophenyl)-N-[(4-methoxyphenyl)methyl]propanediamide
CID 108947071
2-[2-[(3,5-dichloro-2-pyridinyl)oxy]anilino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 60536689
N-[4-chloro-3-[[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]amino]phenyl]butanamide
CID 54831206
3,5-dichloro-N-[(4-methoxyphenyl)methyl]pyridin-2-amine
CID 29285859

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3,5-dichloro-2-pyridinyl)oxy]anilino]-N-[(4-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[2-[(3,5-dichloro-2-pyridinyl)oxy]anilino]-N-[(4-methoxyphenyl)methyl]acetamide (CID 60536820) is 2-[2-[(3,5-dichloro-2-pyridinyl)oxy]anilino]-N-[(4-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[2-[(3,5-dichloro-2-pyridinyl)oxy]anilino]-N-[(4-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[2-[(3,5-dichloro-2-pyridinyl)oxy]anilino]-N-[(4-methoxyphenyl)methyl]acetamide is COc1ccc(CNC(=O)CNc2ccccc2Oc2ncc(Cl)cc2Cl)cc1.
What is the InChIKey of 2-[2-[(3,5-dichloro-2-pyridinyl)oxy]anilino]-N-[(4-methoxyphenyl)methyl]acetamide?
The InChIKey is QHWZBMSDCXVTRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19Cl2N3O3/c1-28-16-8-6-14(7-9-16)11-25-20(27)13-24-18-4-2-3-5-19(18)29-21-17(23)10-15(22)12-26-21/h2-10,12,24H,11,13H2,1H3,(H,25,27).
What are the key properties of 2-[2-[(3,5-dichloro-2-pyridinyl)oxy]anilino]-N-[(4-methoxyphenyl)methyl]acetamide?
2-[2-[(3,5-dichloro-2-pyridinyl)oxy]anilino]-N-[(4-methoxyphenyl)methyl]acetamide has a molecular weight of 432.31 g/mol, XLogP of 4.92, 8 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-[(4-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 60536820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).