1-[7-(3-chloroanilino)-1-benzofuran-2-yl]ethanone

C16H12ClNO2 — CID 162644130

IUPAC1-[7-(3-chloroanilino)-1-benzofuran-2-yl]ethanone
SMILESCC(=O)c1cc2cccc(Nc3cccc(Cl)c3)c2o1
InChIInChI=1S/C16H12ClNO2/c1-10(19)15-8-11-4-2-7-14(16(11)20-15)18-13-6-3-5-12(17)9-13/h2-9,18H,1H3
InChIKeyJILNNVVSJGKRDG-UHFFFAOYSA-N
MW285.73 g/mol
LogP5.03
Rot. Bonds3

About 1-[7-(3-chloroanilino)-1-benzofuran-2-yl]ethanone

1-[7-(3-chloroanilino)-1-benzofuran-2-yl]ethanone (PubChem CID 162644130) has the molecular formula C16H12ClNO2 and a molecular weight of 285.73 g/mol. Its IUPAC name is 1-[7-(3-chloroanilino)-1-benzofuran-2-yl]ethanone.

Molecular Properties

Compound Name1-[7-(3-chloroanilino)-1-benzofuran-2-yl]ethanone
PubChem CID162644130
Molecular FormulaC16H12ClNO2
Molecular Weight285.73 g/mol
Exact Mass285.06
IUPAC Name1-[7-(3-chloroanilino)-1-benzofuran-2-yl]ethanone
SMILESCC(=O)c1cc2cccc(Nc3cccc(Cl)c3)c2o1
InChIInChI=1S/C16H12ClNO2/c1-10(19)15-8-11-4-2-7-14(16(11)20-15)18-13-6-3-5-12(17)9-13/h2-9,18H,1H3
InChIKeyJILNNVVSJGKRDG-UHFFFAOYSA-N
XLogP5.03
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.73
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[7-(3-chloroanilino)-1-benzofuran-2-yl]ethanone?
The IUPAC name of 1-[7-(3-chloroanilino)-1-benzofuran-2-yl]ethanone (CID 162644130) is 1-[7-(3-chloroanilino)-1-benzofuran-2-yl]ethanone.
What is the SMILES notation for 1-[7-(3-chloroanilino)-1-benzofuran-2-yl]ethanone?
The canonical SMILES for 1-[7-(3-chloroanilino)-1-benzofuran-2-yl]ethanone is CC(=O)c1cc2cccc(Nc3cccc(Cl)c3)c2o1.
What is the InChIKey of 1-[7-(3-chloroanilino)-1-benzofuran-2-yl]ethanone?
The InChIKey is JILNNVVSJGKRDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClNO2/c1-10(19)15-8-11-4-2-7-14(16(11)20-15)18-13-6-3-5-12(17)9-13/h2-9,18H,1H3.
What are the key properties of 1-[7-(3-chloroanilino)-1-benzofuran-2-yl]ethanone?
1-[7-(3-chloroanilino)-1-benzofuran-2-yl]ethanone has a molecular weight of 285.73 g/mol, XLogP of 5.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-(3-chloroanilino)-1-benzofuran-2-yl]ethanone is sourced from PubChem (CID 162644130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).