2-(2-bromo-5-methyl-1-benzofuran-3-yl)-1-morpholin-4-ylethanone

C15H16BrNO3 — CID 156620519

IUPAC2-(2-bromo-5-methyl-1-benzofuran-3-yl)-1-morpholin-4-ylethanone
SMILESCc1ccc2oc(Br)c(CC(=O)N3CCOCC3)c2c1
InChIInChI=1S/C15H16BrNO3/c1-10-2-3-13-11(8-10)12(15(16)20-13)9-14(18)17-4-6-19-7-5-17/h2-3,8H,4-7,9H2,1H3
InChIKeyWBGOMAQSELUAPK-UHFFFAOYSA-N
MW338.20 g/mol
LogP2.91
Rot. Bonds2

About 2-(2-bromo-5-methyl-1-benzofuran-3-yl)-1-morpholin-4-ylethanone

2-(2-bromo-5-methyl-1-benzofuran-3-yl)-1-morpholin-4-ylethanone (PubChem CID 156620519) has the molecular formula C15H16BrNO3 and a molecular weight of 338.20 g/mol. Its IUPAC name is 2-(2-bromo-5-methyl-1-benzofuran-3-yl)-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-(2-bromo-5-methyl-1-benzofuran-3-yl)-1-morpholin-4-ylethanone
PubChem CID156620519
Molecular FormulaC15H16BrNO3
Molecular Weight338.20 g/mol
Exact Mass337.03
IUPAC Name2-(2-bromo-5-methyl-1-benzofuran-3-yl)-1-morpholin-4-ylethanone
SMILESCc1ccc2oc(Br)c(CC(=O)N3CCOCC3)c2c1
InChIInChI=1S/C15H16BrNO3/c1-10-2-3-13-11(8-10)12(15(16)20-13)9-14(18)17-4-6-19-7-5-17/h2-3,8H,4-7,9H2,1H3
InChIKeyWBGOMAQSELUAPK-UHFFFAOYSA-N
XLogP2.91
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.20
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(2-bromo-5-methyl-1-benzofuran-3-yl)-1-morpholin-4-ylethanone 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 2-(2-bromo-5-methyl-1-benzofuran-3-yl)-1-morpholin-4-ylethanone?
The IUPAC name of 2-(2-bromo-5-methyl-1-benzofuran-3-yl)-1-morpholin-4-ylethanone (CID 156620519) is 2-(2-bromo-5-methyl-1-benzofuran-3-yl)-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-(2-bromo-5-methyl-1-benzofuran-3-yl)-1-morpholin-4-ylethanone?
The canonical SMILES for 2-(2-bromo-5-methyl-1-benzofuran-3-yl)-1-morpholin-4-ylethanone is Cc1ccc2oc(Br)c(CC(=O)N3CCOCC3)c2c1.
What is the InChIKey of 2-(2-bromo-5-methyl-1-benzofuran-3-yl)-1-morpholin-4-ylethanone?
The InChIKey is WBGOMAQSELUAPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO3/c1-10-2-3-13-11(8-10)12(15(16)20-13)9-14(18)17-4-6-19-7-5-17/h2-3,8H,4-7,9H2,1H3.
What are the key properties of 2-(2-bromo-5-methyl-1-benzofuran-3-yl)-1-morpholin-4-ylethanone?
2-(2-bromo-5-methyl-1-benzofuran-3-yl)-1-morpholin-4-ylethanone has a molecular weight of 338.20 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-methyl-1-benzofuran-3-yl)-1-morpholin-4-ylethanone is sourced from PubChem (CID 156620519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).