(2,4-dichlorophenyl)-(3-methyl-6-pyridin-2-yl-1-benzofuran-2-yl)methanone

C21H13Cl2NO2 — CID 68512766

IUPAC(2,4-dichlorophenyl)-(3-methyl-6-pyridin-2-yl-1-benzofuran-2-yl)methanone
SMILESCc1c(C(=O)c2ccc(Cl)cc2Cl)oc2cc(-c3ccccn3)ccc12
InChIInChI=1S/C21H13Cl2NO2/c1-12-15-7-5-13(18-4-2-3-9-24-18)10-19(15)26-21(12)20(25)16-8-6-14(22)11-17(16)23/h2-11H,1H3
InChIKeyONUWQSIVSRJSIV-UHFFFAOYSA-N
MW382.25 g/mol
LogP6.34
Rot. Bonds3

About (2,4-dichlorophenyl)-(3-methyl-6-pyridin-2-yl-1-benzofuran-2-yl)methanone

(2,4-dichlorophenyl)-(3-methyl-6-pyridin-2-yl-1-benzofuran-2-yl)methanone (PubChem CID 68512766) has the molecular formula C21H13Cl2NO2 and a molecular weight of 382.25 g/mol. Its IUPAC name is (2,4-dichlorophenyl)-(3-methyl-6-pyridin-2-yl-1-benzofuran-2-yl)methanone.

Molecular Properties

Compound Name(2,4-dichlorophenyl)-(3-methyl-6-pyridin-2-yl-1-benzofuran-2-yl)methanone
PubChem CID68512766
Molecular FormulaC21H13Cl2NO2
Molecular Weight382.25 g/mol
Exact Mass381.03
IUPAC Name(2,4-dichlorophenyl)-(3-methyl-6-pyridin-2-yl-1-benzofuran-2-yl)methanone
SMILESCc1c(C(=O)c2ccc(Cl)cc2Cl)oc2cc(-c3ccccn3)ccc12
InChIInChI=1S/C21H13Cl2NO2/c1-12-15-7-5-13(18-4-2-3-9-24-18)10-19(15)26-21(12)20(25)16-8-6-14(22)11-17(16)23/h2-11H,1H3
InChIKeyONUWQSIVSRJSIV-UHFFFAOYSA-N
XLogP6.34
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.25
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorophenyl)-(3-methyl-6-pyridin-2-yl-1-benzofuran-2-yl)methanone?
The IUPAC name of (2,4-dichlorophenyl)-(3-methyl-6-pyridin-2-yl-1-benzofuran-2-yl)methanone (CID 68512766) is (2,4-dichlorophenyl)-(3-methyl-6-pyridin-2-yl-1-benzofuran-2-yl)methanone.
What is the SMILES notation for (2,4-dichlorophenyl)-(3-methyl-6-pyridin-2-yl-1-benzofuran-2-yl)methanone?
The canonical SMILES for (2,4-dichlorophenyl)-(3-methyl-6-pyridin-2-yl-1-benzofuran-2-yl)methanone is Cc1c(C(=O)c2ccc(Cl)cc2Cl)oc2cc(-c3ccccn3)ccc12.
What is the InChIKey of (2,4-dichlorophenyl)-(3-methyl-6-pyridin-2-yl-1-benzofuran-2-yl)methanone?
The InChIKey is ONUWQSIVSRJSIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13Cl2NO2/c1-12-15-7-5-13(18-4-2-3-9-24-18)10-19(15)26-21(12)20(25)16-8-6-14(22)11-17(16)23/h2-11H,1H3.
What are the key properties of (2,4-dichlorophenyl)-(3-methyl-6-pyridin-2-yl-1-benzofuran-2-yl)methanone?
(2,4-dichlorophenyl)-(3-methyl-6-pyridin-2-yl-1-benzofuran-2-yl)methanone has a molecular weight of 382.25 g/mol, XLogP of 6.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichlorophenyl)-(3-methyl-6-pyridin-2-yl-1-benzofuran-2-yl)methanone is sourced from PubChem (CID 68512766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).