2-(3,5-dichloro-4-pyridinyl)-1-(4-methoxydibenzofuran-1-yl)ethanone

C20H13Cl2NO3 — CID 67149115

IUPAC2-(3,5-dichloro-4-pyridinyl)-1-(4-methoxydibenzofuran-1-yl)ethanone
SMILESCOc1ccc(C(=O)Cc2c(Cl)cncc2Cl)c2c1oc1ccccc12
InChIInChI=1S/C20H13Cl2NO3/c1-25-18-7-6-11(16(24)8-13-14(21)9-23-10-15(13)22)19-12-4-2-3-5-17(12)26-20(18)19/h2-7,9-10H,8H2,1H3
InChIKeyMGJCIIDYTWGLSR-UHFFFAOYSA-N
MW386.23 g/mol
LogP5.72
Rot. Bonds4

About 2-(3,5-dichloro-4-pyridinyl)-1-(4-methoxydibenzofuran-1-yl)ethanone

2-(3,5-dichloro-4-pyridinyl)-1-(4-methoxydibenzofuran-1-yl)ethanone (PubChem CID 67149115) has the molecular formula C20H13Cl2NO3 and a molecular weight of 386.23 g/mol. Its IUPAC name is 2-(3,5-dichloro-4-pyridinyl)-1-(4-methoxydibenzofuran-1-yl)ethanone.

Molecular Properties

Compound Name2-(3,5-dichloro-4-pyridinyl)-1-(4-methoxydibenzofuran-1-yl)ethanone
PubChem CID67149115
Molecular FormulaC20H13Cl2NO3
Molecular Weight386.23 g/mol
Exact Mass385.03
IUPAC Name2-(3,5-dichloro-4-pyridinyl)-1-(4-methoxydibenzofuran-1-yl)ethanone
SMILESCOc1ccc(C(=O)Cc2c(Cl)cncc2Cl)c2c1oc1ccccc12
InChIInChI=1S/C20H13Cl2NO3/c1-25-18-7-6-11(16(24)8-13-14(21)9-23-10-15(13)22)19-12-4-2-3-5-17(12)26-20(18)19/h2-7,9-10H,8H2,1H3
InChIKeyMGJCIIDYTWGLSR-UHFFFAOYSA-N
XLogP5.72
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.23
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichloro-4-pyridinyl)-1-(4-methoxydibenzofuran-1-yl)ethanone?
The IUPAC name of 2-(3,5-dichloro-4-pyridinyl)-1-(4-methoxydibenzofuran-1-yl)ethanone (CID 67149115) is 2-(3,5-dichloro-4-pyridinyl)-1-(4-methoxydibenzofuran-1-yl)ethanone.
What is the SMILES notation for 2-(3,5-dichloro-4-pyridinyl)-1-(4-methoxydibenzofuran-1-yl)ethanone?
The canonical SMILES for 2-(3,5-dichloro-4-pyridinyl)-1-(4-methoxydibenzofuran-1-yl)ethanone is COc1ccc(C(=O)Cc2c(Cl)cncc2Cl)c2c1oc1ccccc12.
What is the InChIKey of 2-(3,5-dichloro-4-pyridinyl)-1-(4-methoxydibenzofuran-1-yl)ethanone?
The InChIKey is MGJCIIDYTWGLSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13Cl2NO3/c1-25-18-7-6-11(16(24)8-13-14(21)9-23-10-15(13)22)19-12-4-2-3-5-17(12)26-20(18)19/h2-7,9-10H,8H2,1H3.
What are the key properties of 2-(3,5-dichloro-4-pyridinyl)-1-(4-methoxydibenzofuran-1-yl)ethanone?
2-(3,5-dichloro-4-pyridinyl)-1-(4-methoxydibenzofuran-1-yl)ethanone has a molecular weight of 386.23 g/mol, XLogP of 5.72, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichloro-4-pyridinyl)-1-(4-methoxydibenzofuran-1-yl)ethanone is sourced from PubChem (CID 67149115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).