(3-amino-5-methoxy-1-benzofuran-2-yl)-phenylmethanone

C16H13NO3 — CID 698980

IUPAC(3-amino-5-methoxy-1-benzofuran-2-yl)-phenylmethanone
SMILESCOc1ccc2oc(C(=O)c3ccccc3)c(N)c2c1
InChIInChI=1S/C16H13NO3/c1-19-11-7-8-13-12(9-11)14(17)16(20-13)15(18)10-5-3-2-4-6-10/h2-9H,17H2,1H3
InChIKeyYRTNUSSKCYSRKK-UHFFFAOYSA-N
MW267.28 g/mol
LogP3.25
Rot. Bonds3

About (3-amino-5-methoxy-1-benzofuran-2-yl)-phenylmethanone

(3-amino-5-methoxy-1-benzofuran-2-yl)-phenylmethanone (PubChem CID 698980) has the molecular formula C16H13NO3 and a molecular weight of 267.28 g/mol. Its IUPAC name is (3-amino-5-methoxy-1-benzofuran-2-yl)-phenylmethanone.

Molecular Properties

Compound Name(3-amino-5-methoxy-1-benzofuran-2-yl)-phenylmethanone
PubChem CID698980
Molecular FormulaC16H13NO3
Molecular Weight267.28 g/mol
Exact Mass267.09
IUPAC Name(3-amino-5-methoxy-1-benzofuran-2-yl)-phenylmethanone
SMILESCOc1ccc2oc(C(=O)c3ccccc3)c(N)c2c1
InChIInChI=1S/C16H13NO3/c1-19-11-7-8-13-12(9-11)14(17)16(20-13)15(18)10-5-3-2-4-6-10/h2-9H,17H2,1H3
InChIKeyYRTNUSSKCYSRKK-UHFFFAOYSA-N
XLogP3.25
TPSA65.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3-amino-5-methoxy-1-benzofuran-2-yl)-phenylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3-amino-5-methoxy-1-benzofuran-2-yl)-phenylmethanone?
The IUPAC name of (3-amino-5-methoxy-1-benzofuran-2-yl)-phenylmethanone (CID 698980) is (3-amino-5-methoxy-1-benzofuran-2-yl)-phenylmethanone.
What is the SMILES notation for (3-amino-5-methoxy-1-benzofuran-2-yl)-phenylmethanone?
The canonical SMILES for (3-amino-5-methoxy-1-benzofuran-2-yl)-phenylmethanone is COc1ccc2oc(C(=O)c3ccccc3)c(N)c2c1.
What is the InChIKey of (3-amino-5-methoxy-1-benzofuran-2-yl)-phenylmethanone?
The InChIKey is YRTNUSSKCYSRKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO3/c1-19-11-7-8-13-12(9-11)14(17)16(20-13)15(18)10-5-3-2-4-6-10/h2-9H,17H2,1H3.
What are the key properties of (3-amino-5-methoxy-1-benzofuran-2-yl)-phenylmethanone?
(3-amino-5-methoxy-1-benzofuran-2-yl)-phenylmethanone has a molecular weight of 267.28 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-5-methoxy-1-benzofuran-2-yl)-phenylmethanone is sourced from PubChem (CID 698980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).