(3-amino-1-benzofuran-2-yl)-(2,5-dimethoxyphenyl)methanone

C17H15NO4 — CID 622395

IUPAC(3-amino-1-benzofuran-2-yl)-(2,5-dimethoxyphenyl)methanone
SMILESCOc1ccc(OC)c(C(=O)c2oc3ccccc3c2N)c1
InChIInChI=1S/C17H15NO4/c1-20-10-7-8-13(21-2)12(9-10)16(19)17-15(18)11-5-3-4-6-14(11)22-17/h3-9H,18H2,1-2H3
InChIKeyARHUJNXFYFGBRX-UHFFFAOYSA-N
MW297.31 g/mol
LogP3.26
Rot. Bonds4

About (3-amino-1-benzofuran-2-yl)-(2,5-dimethoxyphenyl)methanone

(3-amino-1-benzofuran-2-yl)-(2,5-dimethoxyphenyl)methanone (PubChem CID 622395) has the molecular formula C17H15NO4 and a molecular weight of 297.31 g/mol. Its IUPAC name is (3-amino-1-benzofuran-2-yl)-(2,5-dimethoxyphenyl)methanone.

Molecular Properties

Compound Name(3-amino-1-benzofuran-2-yl)-(2,5-dimethoxyphenyl)methanone
PubChem CID622395
Molecular FormulaC17H15NO4
Molecular Weight297.31 g/mol
Exact Mass297.10
IUPAC Name(3-amino-1-benzofuran-2-yl)-(2,5-dimethoxyphenyl)methanone
SMILESCOc1ccc(OC)c(C(=O)c2oc3ccccc3c2N)c1
InChIInChI=1S/C17H15NO4/c1-20-10-7-8-13(21-2)12(9-10)16(19)17-15(18)11-5-3-4-6-14(11)22-17/h3-9H,18H2,1-2H3
InChIKeyARHUJNXFYFGBRX-UHFFFAOYSA-N
XLogP3.26
TPSA74.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-amino-1-benzofuran-2-yl)-(2,5-dimethoxyphenyl)methanone?
The IUPAC name of (3-amino-1-benzofuran-2-yl)-(2,5-dimethoxyphenyl)methanone (CID 622395) is (3-amino-1-benzofuran-2-yl)-(2,5-dimethoxyphenyl)methanone.
What is the SMILES notation for (3-amino-1-benzofuran-2-yl)-(2,5-dimethoxyphenyl)methanone?
The canonical SMILES for (3-amino-1-benzofuran-2-yl)-(2,5-dimethoxyphenyl)methanone is COc1ccc(OC)c(C(=O)c2oc3ccccc3c2N)c1.
What is the InChIKey of (3-amino-1-benzofuran-2-yl)-(2,5-dimethoxyphenyl)methanone?
The InChIKey is ARHUJNXFYFGBRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO4/c1-20-10-7-8-13(21-2)12(9-10)16(19)17-15(18)11-5-3-4-6-14(11)22-17/h3-9H,18H2,1-2H3.
What are the key properties of (3-amino-1-benzofuran-2-yl)-(2,5-dimethoxyphenyl)methanone?
(3-amino-1-benzofuran-2-yl)-(2,5-dimethoxyphenyl)methanone has a molecular weight of 297.31 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-1-benzofuran-2-yl)-(2,5-dimethoxyphenyl)methanone is sourced from PubChem (CID 622395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).