2-(3,5-dichloro-4-pyridinyl)-1-(3-ethoxy-2,4-dimethoxyphenyl)ethanone

C17H17Cl2NO4 — CID 24957749

IUPAC2-(3,5-dichloro-4-pyridinyl)-1-(3-ethoxy-2,4-dimethoxyphenyl)ethanone
SMILESCCOc1c(OC)ccc(C(=O)Cc2c(Cl)cncc2Cl)c1OC
InChIInChI=1S/C17H17Cl2NO4/c1-4-24-17-15(22-2)6-5-10(16(17)23-3)14(21)7-11-12(18)8-20-9-13(11)19/h5-6,8-9H,4,7H2,1-3H3
InChIKeyOUECCBYYAPBBGU-UHFFFAOYSA-N
MW370.23 g/mol
LogP4.23
Rot. Bonds7

About 2-(3,5-dichloro-4-pyridinyl)-1-(3-ethoxy-2,4-dimethoxyphenyl)ethanone

2-(3,5-dichloro-4-pyridinyl)-1-(3-ethoxy-2,4-dimethoxyphenyl)ethanone (PubChem CID 24957749) has the molecular formula C17H17Cl2NO4 and a molecular weight of 370.23 g/mol. Its IUPAC name is 2-(3,5-dichloro-4-pyridinyl)-1-(3-ethoxy-2,4-dimethoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(3,5-dichloro-4-pyridinyl)-1-(3-ethoxy-2,4-dimethoxyphenyl)ethanone
PubChem CID24957749
Molecular FormulaC17H17Cl2NO4
Molecular Weight370.23 g/mol
Exact Mass369.05
IUPAC Name2-(3,5-dichloro-4-pyridinyl)-1-(3-ethoxy-2,4-dimethoxyphenyl)ethanone
SMILESCCOc1c(OC)ccc(C(=O)Cc2c(Cl)cncc2Cl)c1OC
InChIInChI=1S/C17H17Cl2NO4/c1-4-24-17-15(22-2)6-5-10(16(17)23-3)14(21)7-11-12(18)8-20-9-13(11)19/h5-6,8-9H,4,7H2,1-3H3
InChIKeyOUECCBYYAPBBGU-UHFFFAOYSA-N
XLogP4.23
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.23
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichloro-4-pyridinyl)-1-(3-ethoxy-2,4-dimethoxyphenyl)ethanone?
The IUPAC name of 2-(3,5-dichloro-4-pyridinyl)-1-(3-ethoxy-2,4-dimethoxyphenyl)ethanone (CID 24957749) is 2-(3,5-dichloro-4-pyridinyl)-1-(3-ethoxy-2,4-dimethoxyphenyl)ethanone.
What is the SMILES notation for 2-(3,5-dichloro-4-pyridinyl)-1-(3-ethoxy-2,4-dimethoxyphenyl)ethanone?
The canonical SMILES for 2-(3,5-dichloro-4-pyridinyl)-1-(3-ethoxy-2,4-dimethoxyphenyl)ethanone is CCOc1c(OC)ccc(C(=O)Cc2c(Cl)cncc2Cl)c1OC.
What is the InChIKey of 2-(3,5-dichloro-4-pyridinyl)-1-(3-ethoxy-2,4-dimethoxyphenyl)ethanone?
The InChIKey is OUECCBYYAPBBGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2NO4/c1-4-24-17-15(22-2)6-5-10(16(17)23-3)14(21)7-11-12(18)8-20-9-13(11)19/h5-6,8-9H,4,7H2,1-3H3.
What are the key properties of 2-(3,5-dichloro-4-pyridinyl)-1-(3-ethoxy-2,4-dimethoxyphenyl)ethanone?
2-(3,5-dichloro-4-pyridinyl)-1-(3-ethoxy-2,4-dimethoxyphenyl)ethanone has a molecular weight of 370.23 g/mol, XLogP of 4.23, 7 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-ethoxy-2,4-dimethoxyphenyl)ethanone is sourced from PubChem (CID 24957749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).