3-bromo-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)benzamide

C18H16BrNO3 — CID 113095277

IUPAC3-bromo-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)benzamide
SMILESO=C(NCc1c2c(cc3c1OCC3)OCC2)c1cccc(Br)c1
InChIInChI=1S/C18H16BrNO3/c19-13-3-1-2-12(8-13)18(21)20-10-15-14-5-7-22-16(14)9-11-4-6-23-17(11)15/h1-3,8-9H,4-7,10H2,(H,20,21)
InChIKeyKERDRFZNUGAWCH-UHFFFAOYSA-N
MW374.23 g/mol
LogP3.25
Rot. Bonds3

About 3-bromo-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)benzamide

3-bromo-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)benzamide (PubChem CID 113095277) has the molecular formula C18H16BrNO3 and a molecular weight of 374.23 g/mol. Its IUPAC name is 3-bromo-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)benzamide.

Molecular Properties

Compound Name3-bromo-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)benzamide
PubChem CID113095277
Molecular FormulaC18H16BrNO3
Molecular Weight374.23 g/mol
Exact Mass373.03
IUPAC Name3-bromo-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)benzamide
SMILESO=C(NCc1c2c(cc3c1OCC3)OCC2)c1cccc(Br)c1
InChIInChI=1S/C18H16BrNO3/c19-13-3-1-2-12(8-13)18(21)20-10-15-14-5-7-22-16(14)9-11-4-6-23-17(11)15/h1-3,8-9H,4-7,10H2,(H,20,21)
InChIKeyKERDRFZNUGAWCH-UHFFFAOYSA-N
XLogP3.25
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.23
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)benzamide?
The IUPAC name of 3-bromo-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)benzamide (CID 113095277) is 3-bromo-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)benzamide.
What is the SMILES notation for 3-bromo-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)benzamide?
The canonical SMILES for 3-bromo-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)benzamide is O=C(NCc1c2c(cc3c1OCC3)OCC2)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)benzamide?
The InChIKey is KERDRFZNUGAWCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrNO3/c19-13-3-1-2-12(8-13)18(21)20-10-15-14-5-7-22-16(14)9-11-4-6-23-17(11)15/h1-3,8-9H,4-7,10H2,(H,20,21).
What are the key properties of 3-bromo-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)benzamide?
3-bromo-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)benzamide has a molecular weight of 374.23 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)benzamide is sourced from PubChem (CID 113095277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).