2-[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]pentanamide

C20H22Cl2N2O5 — CID 91446208

IUPAC2-[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]pentanamide
SMILESCCCC(Oc1c(C(=O)Cc2c(Cl)cncc2Cl)ccc(OC)c1OC)C(N)=O
InChIInChI=1S/C20H22Cl2N2O5/c1-4-5-17(20(23)26)29-18-11(6-7-16(27-2)19(18)28-3)15(25)8-12-13(21)9-24-10-14(12)22/h6-7,9-10,17H,4-5,8H2,1-3H3,(H2,23,26)
InChIKeyKNZRDMCNBPQWJO-UHFFFAOYSA-N
MW441.31 g/mol
LogP3.86
Rot. Bonds10

About 2-[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]pentanamide

2-[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]pentanamide (PubChem CID 91446208) has the molecular formula C20H22Cl2N2O5 and a molecular weight of 441.31 g/mol. Its IUPAC name is 2-[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]pentanamide.

Molecular Properties

Compound Name2-[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]pentanamide
PubChem CID91446208
Molecular FormulaC20H22Cl2N2O5
Molecular Weight441.31 g/mol
Exact Mass440.09
IUPAC Name2-[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]pentanamide
SMILESCCCC(Oc1c(C(=O)Cc2c(Cl)cncc2Cl)ccc(OC)c1OC)C(N)=O
InChIInChI=1S/C20H22Cl2N2O5/c1-4-5-17(20(23)26)29-18-11(6-7-16(27-2)19(18)28-3)15(25)8-12-13(21)9-24-10-14(12)22/h6-7,9-10,17H,4-5,8H2,1-3H3,(H2,23,26)
InChIKeyKNZRDMCNBPQWJO-UHFFFAOYSA-N
XLogP3.86
TPSA100.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.31
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[6-[2-(3-bromo-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]pentanamide
CID 91140790
2-(3,5-dichloro-4-pyridinyl)-1-[3,4-dimethoxy-2-(3-methylbutoxy)phenyl]ethanone
CID 24960690
2-(3,5-dichloro-4-pyridinyl)-1-(2-hydroxy-3,4-dimethoxyphenyl)ethanone
CID 24829338
2-(3,5-dichloro-4-pyridinyl)-1-(3,4-dimethoxy-2-prop-2-enoxyphenyl)ethanone
CID 24959221
propan-2-yl 2-[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]acetate
CID 24960688
2-(3,5-dichloro-4-pyridinyl)-1-[3,4-dimethoxy-2-[(4-propan-2-ylphenyl)methoxy]phenyl]ethanone
CID 24962513
benzyl 2-[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]acetate
CID 24960331
methyl 4-[[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]methyl]benzoate
CID 24961786
2-[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]-N-(1-phenylethyl)acetamide
CID 67031111
2-(3,5-dichloro-4-pyridinyl)-1-(2,2-diethyl-7-methoxy-1,3-benzodioxol-4-yl)ethanone
CID 143213221
2-(3-chloro-5-methyl-4-pyridinyl)-1-(3-cyclohexyloxy-2,4-dimethoxyphenyl)ethanone
CID 142942613
2-(3,5-dichloro-4-pyridinyl)-1-(4-methoxydibenzofuran-1-yl)ethanone
CID 67149115

Frequently Asked Questions

What is the IUPAC name of 2-[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]pentanamide?
The IUPAC name of 2-[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]pentanamide (CID 91446208) is 2-[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]pentanamide.
What is the SMILES notation for 2-[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]pentanamide?
The canonical SMILES for 2-[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]pentanamide is CCCC(Oc1c(C(=O)Cc2c(Cl)cncc2Cl)ccc(OC)c1OC)C(N)=O.
What is the InChIKey of 2-[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]pentanamide?
The InChIKey is KNZRDMCNBPQWJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N2O5/c1-4-5-17(20(23)26)29-18-11(6-7-16(27-2)19(18)28-3)15(25)8-12-13(21)9-24-10-14(12)22/h6-7,9-10,17H,4-5,8H2,1-3H3,(H2,23,26).
What are the key properties of 2-[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]pentanamide?
2-[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]pentanamide has a molecular weight of 441.31 g/mol, XLogP of 3.86, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]pentanamide is sourced from PubChem (CID 91446208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).