2-(3,5-dichloro-4-pyridinyl)-1-(3,4-dimethoxy-2-phenylmethoxyphenyl)ethanone

C22H19Cl2NO4 — CID 24959218

IUPAC2-(3,5-dichloro-4-pyridinyl)-1-(3,4-dimethoxy-2-phenylmethoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)Cc2c(Cl)cncc2Cl)c(OCc2ccccc2)c1OC
InChIInChI=1S/C22H19Cl2NO4/c1-27-20-9-8-15(19(26)10-16-17(23)11-25-12-18(16)24)21(22(20)28-2)29-13-14-6-4-3-5-7-14/h3-9,11-12H,10,13H2,1-2H3
InChIKeyZUZGIAAQIMTXJZ-UHFFFAOYSA-N
MW432.30 g/mol
LogP5.41
Rot. Bonds8

About 2-(3,5-dichloro-4-pyridinyl)-1-(3,4-dimethoxy-2-phenylmethoxyphenyl)ethanone

2-(3,5-dichloro-4-pyridinyl)-1-(3,4-dimethoxy-2-phenylmethoxyphenyl)ethanone (PubChem CID 24959218) has the molecular formula C22H19Cl2NO4 and a molecular weight of 432.30 g/mol. Its IUPAC name is 2-(3,5-dichloro-4-pyridinyl)-1-(3,4-dimethoxy-2-phenylmethoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(3,5-dichloro-4-pyridinyl)-1-(3,4-dimethoxy-2-phenylmethoxyphenyl)ethanone
PubChem CID24959218
Molecular FormulaC22H19Cl2NO4
Molecular Weight432.30 g/mol
Exact Mass431.07
IUPAC Name2-(3,5-dichloro-4-pyridinyl)-1-(3,4-dimethoxy-2-phenylmethoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)Cc2c(Cl)cncc2Cl)c(OCc2ccccc2)c1OC
InChIInChI=1S/C22H19Cl2NO4/c1-27-20-9-8-15(19(26)10-16-17(23)11-25-12-18(16)24)21(22(20)28-2)29-13-14-6-4-3-5-7-14/h3-9,11-12H,10,13H2,1-2H3
InChIKeyZUZGIAAQIMTXJZ-UHFFFAOYSA-N
XLogP5.41
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.30
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(3,5-dichloro-4-pyridinyl)-1-(3,4-dimethoxy-2-phenylmethoxyphenyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichloro-4-pyridinyl)-1-(3,4-dimethoxy-2-phenylmethoxyphenyl)ethanone?
The IUPAC name of 2-(3,5-dichloro-4-pyridinyl)-1-(3,4-dimethoxy-2-phenylmethoxyphenyl)ethanone (CID 24959218) is 2-(3,5-dichloro-4-pyridinyl)-1-(3,4-dimethoxy-2-phenylmethoxyphenyl)ethanone.
What is the SMILES notation for 2-(3,5-dichloro-4-pyridinyl)-1-(3,4-dimethoxy-2-phenylmethoxyphenyl)ethanone?
The canonical SMILES for 2-(3,5-dichloro-4-pyridinyl)-1-(3,4-dimethoxy-2-phenylmethoxyphenyl)ethanone is COc1ccc(C(=O)Cc2c(Cl)cncc2Cl)c(OCc2ccccc2)c1OC.
What is the InChIKey of 2-(3,5-dichloro-4-pyridinyl)-1-(3,4-dimethoxy-2-phenylmethoxyphenyl)ethanone?
The InChIKey is ZUZGIAAQIMTXJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19Cl2NO4/c1-27-20-9-8-15(19(26)10-16-17(23)11-25-12-18(16)24)21(22(20)28-2)29-13-14-6-4-3-5-7-14/h3-9,11-12H,10,13H2,1-2H3.
What are the key properties of 2-(3,5-dichloro-4-pyridinyl)-1-(3,4-dimethoxy-2-phenylmethoxyphenyl)ethanone?
2-(3,5-dichloro-4-pyridinyl)-1-(3,4-dimethoxy-2-phenylmethoxyphenyl)ethanone has a molecular weight of 432.30 g/mol, XLogP of 5.41, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichloro-4-pyridinyl)-1-(3,4-dimethoxy-2-phenylmethoxyphenyl)ethanone is sourced from PubChem (CID 24959218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).