2-[6-[2-(3,5-dichloro-4-pyridinyl)ethenyl]-2,3-dimethoxyphenoxy]-N-propan-2-ylacetamide

C20H22Cl2N2O4 — CID 151244109

IUPAC2-[6-[2-(3,5-dichloro-4-pyridinyl)ethenyl]-2,3-dimethoxyphenoxy]-N-propan-2-ylacetamide
SMILESCOc1ccc(C=Cc2c(Cl)cncc2Cl)c(OCC(=O)NC(C)C)c1OC
InChIInChI=1S/C20H22Cl2N2O4/c1-12(2)24-18(25)11-28-19-13(6-8-17(26-3)20(19)27-4)5-7-14-15(21)9-23-10-16(14)22/h5-10,12H,11H2,1-4H3,(H,24,25)
InChIKeyNQXYGINIMSXSHH-UHFFFAOYSA-N
MW425.31 g/mol
LogP4.48
Rot. Bonds8

About 2-[6-[2-(3,5-dichloro-4-pyridinyl)ethenyl]-2,3-dimethoxyphenoxy]-N-propan-2-ylacetamide

2-[6-[2-(3,5-dichloro-4-pyridinyl)ethenyl]-2,3-dimethoxyphenoxy]-N-propan-2-ylacetamide (PubChem CID 151244109) has the molecular formula C20H22Cl2N2O4 and a molecular weight of 425.31 g/mol. Its IUPAC name is 2-[6-[2-(3,5-dichloro-4-pyridinyl)ethenyl]-2,3-dimethoxyphenoxy]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[6-[2-(3,5-dichloro-4-pyridinyl)ethenyl]-2,3-dimethoxyphenoxy]-N-propan-2-ylacetamide
PubChem CID151244109
Molecular FormulaC20H22Cl2N2O4
Molecular Weight425.31 g/mol
Exact Mass424.10
IUPAC Name2-[6-[2-(3,5-dichloro-4-pyridinyl)ethenyl]-2,3-dimethoxyphenoxy]-N-propan-2-ylacetamide
SMILESCOc1ccc(C=Cc2c(Cl)cncc2Cl)c(OCC(=O)NC(C)C)c1OC
InChIInChI=1S/C20H22Cl2N2O4/c1-12(2)24-18(25)11-28-19-13(6-8-17(26-3)20(19)27-4)5-7-14-15(21)9-23-10-16(14)22/h5-10,12H,11H2,1-4H3,(H,24,25)
InChIKeyNQXYGINIMSXSHH-UHFFFAOYSA-N
XLogP4.48
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.31
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-butyl-2-[6-[2-(3,5-dichloro-4-pyridinyl)ethenyl]-2,3-dimethoxyphenoxy]acetamide
CID 150480165
2-[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]-N-(1-phenylethyl)acetamide
CID 67031111
propan-2-yl 2-[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]acetate
CID 24960688
2-[4-chloro-2-(hydroxymethyl)-6-methoxyphenoxy]-N-propan-2-ylacetamide
CID 104666110
N-propan-2-yl-2-(2,4,6-trichlorophenoxy)acetamide;hydrate
CID 131860957
2-[4-(hydrazinecarbonyl)-2-methoxyphenoxy]-N-propan-2-ylacetamide
CID 167446840
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-3-methoxy-N-methyl-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide
CID 46490770
2-(2-bromo-4-chlorophenoxy)-N-propan-2-ylacetamide
CID 965257
N-propan-2-yl-2-[(2,3,4-trimethoxyphenyl)methylamino]acetamide
CID 43400025
3-chloro-4,5-dimethoxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 9301224
2-(4-carbamothioyl-2-methoxyphenoxy)-N-propan-2-ylacetamide
CID 24692965
2-(3,5-dichloro-4-pyridinyl)-2-[3,4-dimethoxy-2-[2-(2-methoxyphenyl)-2-oxoethoxy]phenyl]acetaldehyde
CID 87172091

Frequently Asked Questions

What is the IUPAC name of 2-[6-[2-(3,5-dichloro-4-pyridinyl)ethenyl]-2,3-dimethoxyphenoxy]-N-propan-2-ylacetamide?
The IUPAC name of 2-[6-[2-(3,5-dichloro-4-pyridinyl)ethenyl]-2,3-dimethoxyphenoxy]-N-propan-2-ylacetamide (CID 151244109) is 2-[6-[2-(3,5-dichloro-4-pyridinyl)ethenyl]-2,3-dimethoxyphenoxy]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[6-[2-(3,5-dichloro-4-pyridinyl)ethenyl]-2,3-dimethoxyphenoxy]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[6-[2-(3,5-dichloro-4-pyridinyl)ethenyl]-2,3-dimethoxyphenoxy]-N-propan-2-ylacetamide is COc1ccc(C=Cc2c(Cl)cncc2Cl)c(OCC(=O)NC(C)C)c1OC.
What is the InChIKey of 2-[6-[2-(3,5-dichloro-4-pyridinyl)ethenyl]-2,3-dimethoxyphenoxy]-N-propan-2-ylacetamide?
The InChIKey is NQXYGINIMSXSHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N2O4/c1-12(2)24-18(25)11-28-19-13(6-8-17(26-3)20(19)27-4)5-7-14-15(21)9-23-10-16(14)22/h5-10,12H,11H2,1-4H3,(H,24,25).
What are the key properties of 2-[6-[2-(3,5-dichloro-4-pyridinyl)ethenyl]-2,3-dimethoxyphenoxy]-N-propan-2-ylacetamide?
2-[6-[2-(3,5-dichloro-4-pyridinyl)ethenyl]-2,3-dimethoxyphenoxy]-N-propan-2-ylacetamide has a molecular weight of 425.31 g/mol, XLogP of 4.48, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[2-(3,5-dichloro-4-pyridinyl)ethenyl]-2,3-dimethoxyphenoxy]-N-propan-2-ylacetamide is sourced from PubChem (CID 151244109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).