(3-amino-1-benzofuran-2-yl)-[4-(2,4-difluorophenyl)phenyl]methanone

C21H13F2NO2 — CID 10831629

IUPAC(3-amino-1-benzofuran-2-yl)-[4-(2,4-difluorophenyl)phenyl]methanone
SMILESNc1c(C(=O)c2ccc(-c3ccc(F)cc3F)cc2)oc2ccccc12
InChIInChI=1S/C21H13F2NO2/c22-14-9-10-15(17(23)11-14)12-5-7-13(8-6-12)20(25)21-19(24)16-3-1-2-4-18(16)26-21/h1-11H,24H2
InChIKeyIGVLQGAIICOEBK-UHFFFAOYSA-N
MW349.34 g/mol
LogP5.19
Rot. Bonds3

About (3-amino-1-benzofuran-2-yl)-[4-(2,4-difluorophenyl)phenyl]methanone

(3-amino-1-benzofuran-2-yl)-[4-(2,4-difluorophenyl)phenyl]methanone (PubChem CID 10831629) has the molecular formula C21H13F2NO2 and a molecular weight of 349.34 g/mol. Its IUPAC name is (3-amino-1-benzofuran-2-yl)-[4-(2,4-difluorophenyl)phenyl]methanone.

Molecular Properties

Compound Name(3-amino-1-benzofuran-2-yl)-[4-(2,4-difluorophenyl)phenyl]methanone
PubChem CID10831629
Molecular FormulaC21H13F2NO2
Molecular Weight349.34 g/mol
Exact Mass349.09
IUPAC Name(3-amino-1-benzofuran-2-yl)-[4-(2,4-difluorophenyl)phenyl]methanone
SMILESNc1c(C(=O)c2ccc(-c3ccc(F)cc3F)cc2)oc2ccccc12
InChIInChI=1S/C21H13F2NO2/c22-14-9-10-15(17(23)11-14)12-5-7-13(8-6-12)20(25)21-19(24)16-3-1-2-4-18(16)26-21/h1-11H,24H2
InChIKeyIGVLQGAIICOEBK-UHFFFAOYSA-N
XLogP5.19
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.34
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-amino-1-benzofuran-2-yl)-[4-(2,4-difluorophenyl)phenyl]methanone?
The IUPAC name of (3-amino-1-benzofuran-2-yl)-[4-(2,4-difluorophenyl)phenyl]methanone (CID 10831629) is (3-amino-1-benzofuran-2-yl)-[4-(2,4-difluorophenyl)phenyl]methanone.
What is the SMILES notation for (3-amino-1-benzofuran-2-yl)-[4-(2,4-difluorophenyl)phenyl]methanone?
The canonical SMILES for (3-amino-1-benzofuran-2-yl)-[4-(2,4-difluorophenyl)phenyl]methanone is Nc1c(C(=O)c2ccc(-c3ccc(F)cc3F)cc2)oc2ccccc12.
What is the InChIKey of (3-amino-1-benzofuran-2-yl)-[4-(2,4-difluorophenyl)phenyl]methanone?
The InChIKey is IGVLQGAIICOEBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13F2NO2/c22-14-9-10-15(17(23)11-14)12-5-7-13(8-6-12)20(25)21-19(24)16-3-1-2-4-18(16)26-21/h1-11H,24H2.
What are the key properties of (3-amino-1-benzofuran-2-yl)-[4-(2,4-difluorophenyl)phenyl]methanone?
(3-amino-1-benzofuran-2-yl)-[4-(2,4-difluorophenyl)phenyl]methanone has a molecular weight of 349.34 g/mol, XLogP of 5.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-1-benzofuran-2-yl)-[4-(2,4-difluorophenyl)phenyl]methanone is sourced from PubChem (CID 10831629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).