(2-amino-6-bromo-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone

C18H16BrNO5 — CID 162664091

IUPAC(2-amino-6-bromo-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2c(N)oc3cc(Br)ccc23)cc(OC)c1OC
InChIInChI=1S/C18H16BrNO5/c1-22-13-6-9(7-14(23-2)17(13)24-3)16(21)15-11-5-4-10(19)8-12(11)25-18(15)20/h4-8H,20H2,1-3H3
InChIKeyLWULZPYDFDZCHL-UHFFFAOYSA-N
MW406.23 g/mol
LogP4.03
Rot. Bonds5

About (2-amino-6-bromo-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone

(2-amino-6-bromo-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 162664091) has the molecular formula C18H16BrNO5 and a molecular weight of 406.23 g/mol. Its IUPAC name is (2-amino-6-bromo-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name(2-amino-6-bromo-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone
PubChem CID162664091
Molecular FormulaC18H16BrNO5
Molecular Weight406.23 g/mol
Exact Mass405.02
IUPAC Name(2-amino-6-bromo-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2c(N)oc3cc(Br)ccc23)cc(OC)c1OC
InChIInChI=1S/C18H16BrNO5/c1-22-13-6-9(7-14(23-2)17(13)24-3)16(21)15-11-5-4-10(19)8-12(11)25-18(15)20/h4-8H,20H2,1-3H3
InChIKeyLWULZPYDFDZCHL-UHFFFAOYSA-N
XLogP4.03
TPSA83.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.23
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2-amino-6-bromo-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone 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-amino-6-bromo-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of (2-amino-6-bromo-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone (CID 162664091) is (2-amino-6-bromo-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for (2-amino-6-bromo-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for (2-amino-6-bromo-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)c2c(N)oc3cc(Br)ccc23)cc(OC)c1OC.
What is the InChIKey of (2-amino-6-bromo-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is LWULZPYDFDZCHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrNO5/c1-22-13-6-9(7-14(23-2)17(13)24-3)16(21)15-11-5-4-10(19)8-12(11)25-18(15)20/h4-8H,20H2,1-3H3.
What are the key properties of (2-amino-6-bromo-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone?
(2-amino-6-bromo-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 406.23 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-6-bromo-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 162664091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).