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

C21H24Cl2N2O4 — CID 150480165

IUPACN-butyl-2-[6-[2-(3,5-dichloro-4-pyridinyl)ethenyl]-2,3-dimethoxyphenoxy]acetamide
SMILESCCCCNC(=O)COc1c(C=Cc2c(Cl)cncc2Cl)ccc(OC)c1OC
InChIInChI=1S/C21H24Cl2N2O4/c1-4-5-10-25-19(26)13-29-20-14(7-9-18(27-2)21(20)28-3)6-8-15-16(22)11-24-12-17(15)23/h6-9,11-12H,4-5,10,13H2,1-3H3,(H,25,26)
InChIKeyHTQRDTXLHOIOAD-UHFFFAOYSA-N
MW439.34 g/mol
LogP4.87
Rot. Bonds10

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

N-butyl-2-[6-[2-(3,5-dichloro-4-pyridinyl)ethenyl]-2,3-dimethoxyphenoxy]acetamide (PubChem CID 150480165) has the molecular formula C21H24Cl2N2O4 and a molecular weight of 439.34 g/mol. Its IUPAC name is N-butyl-2-[6-[2-(3,5-dichloro-4-pyridinyl)ethenyl]-2,3-dimethoxyphenoxy]acetamide.

Molecular Properties

Compound NameN-butyl-2-[6-[2-(3,5-dichloro-4-pyridinyl)ethenyl]-2,3-dimethoxyphenoxy]acetamide
PubChem CID150480165
Molecular FormulaC21H24Cl2N2O4
Molecular Weight439.34 g/mol
Exact Mass438.11
IUPAC NameN-butyl-2-[6-[2-(3,5-dichloro-4-pyridinyl)ethenyl]-2,3-dimethoxyphenoxy]acetamide
SMILESCCCCNC(=O)COc1c(C=Cc2c(Cl)cncc2Cl)ccc(OC)c1OC
InChIInChI=1S/C21H24Cl2N2O4/c1-4-5-10-25-19(26)13-29-20-14(7-9-18(27-2)21(20)28-3)6-8-15-16(22)11-24-12-17(15)23/h6-9,11-12H,4-5,10,13H2,1-3H3,(H,25,26)
InChIKeyHTQRDTXLHOIOAD-UHFFFAOYSA-N
XLogP4.87
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.34
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[6-[2-(3,5-dichloro-4-pyridinyl)ethenyl]-2,3-dimethoxyphenoxy]-N-propan-2-ylacetamide
CID 151244109
N-butyl-2-[4-(hydroxymethyl)-2-methoxyphenoxy]acetamide
CID 60627689
(E)-3-[3-methoxy-2-[2-oxo-2-(propylamino)ethoxy]phenyl]prop-2-enoic acid
CID 43471810
N-butyl-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 78767935
N-hexyl-2-(2-methoxyphenoxy)acetamide
CID 19169780
N-butyl-2-(2-formyl-4-methoxyphenoxy)acetamide
CID 60624633
2-(4-chloro-2-formyl-6-methoxyphenoxy)-N-propylacetamide
CID 113438774
2-[2,3-dimethoxy-6-(2-pyrazin-2-ylacetyl)phenoxy]-N-propylacetamide
CID 66829799
N-butyl-2-(2-chloro-4-sulfamoylphenoxy)acetamide
CID 82922015
N-butyl-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide
CID 82064564
2-(2,4-dichlorophenoxy)-N-octylacetamide
CID 4555196
N-butyl-2-[2-methoxy-5-(methylaminomethyl)phenoxy]acetamide
CID 61485632

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[6-[2-(3,5-dichloro-4-pyridinyl)ethenyl]-2,3-dimethoxyphenoxy]acetamide?
The IUPAC name of N-butyl-2-[6-[2-(3,5-dichloro-4-pyridinyl)ethenyl]-2,3-dimethoxyphenoxy]acetamide (CID 150480165) is N-butyl-2-[6-[2-(3,5-dichloro-4-pyridinyl)ethenyl]-2,3-dimethoxyphenoxy]acetamide.
What is the SMILES notation for N-butyl-2-[6-[2-(3,5-dichloro-4-pyridinyl)ethenyl]-2,3-dimethoxyphenoxy]acetamide?
The canonical SMILES for N-butyl-2-[6-[2-(3,5-dichloro-4-pyridinyl)ethenyl]-2,3-dimethoxyphenoxy]acetamide is CCCCNC(=O)COc1c(C=Cc2c(Cl)cncc2Cl)ccc(OC)c1OC.
What is the InChIKey of N-butyl-2-[6-[2-(3,5-dichloro-4-pyridinyl)ethenyl]-2,3-dimethoxyphenoxy]acetamide?
The InChIKey is HTQRDTXLHOIOAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24Cl2N2O4/c1-4-5-10-25-19(26)13-29-20-14(7-9-18(27-2)21(20)28-3)6-8-15-16(22)11-24-12-17(15)23/h6-9,11-12H,4-5,10,13H2,1-3H3,(H,25,26).
What are the key properties of N-butyl-2-[6-[2-(3,5-dichloro-4-pyridinyl)ethenyl]-2,3-dimethoxyphenoxy]acetamide?
N-butyl-2-[6-[2-(3,5-dichloro-4-pyridinyl)ethenyl]-2,3-dimethoxyphenoxy]acetamide has a molecular weight of 439.34 g/mol, XLogP of 4.87, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[6-[2-(3,5-dichloro-4-pyridinyl)ethenyl]-2,3-dimethoxyphenoxy]acetamide is sourced from PubChem (CID 150480165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).