N-(5-bromo-2-phenyl-1-benzofuran-3-yl)-N-methylbenzamide

C22H16BrNO2 — CID 102531456

IUPACN-(5-bromo-2-phenyl-1-benzofuran-3-yl)-N-methylbenzamide
SMILESCN(C(=O)c1ccccc1)c1c(-c2ccccc2)oc2ccc(Br)cc12
InChIInChI=1S/C22H16BrNO2/c1-24(22(25)16-10-6-3-7-11-16)20-18-14-17(23)12-13-19(18)26-21(20)15-8-4-2-5-9-15/h2-14H,1H3
InChIKeyYOUXXVYVGHPLDG-UHFFFAOYSA-N
MW406.28 g/mol
LogP6.14
Rot. Bonds3

About N-(5-bromo-2-phenyl-1-benzofuran-3-yl)-N-methylbenzamide

N-(5-bromo-2-phenyl-1-benzofuran-3-yl)-N-methylbenzamide (PubChem CID 102531456) has the molecular formula C22H16BrNO2 and a molecular weight of 406.28 g/mol. Its IUPAC name is N-(5-bromo-2-phenyl-1-benzofuran-3-yl)-N-methylbenzamide.

Molecular Properties

Compound NameN-(5-bromo-2-phenyl-1-benzofuran-3-yl)-N-methylbenzamide
PubChem CID102531456
Molecular FormulaC22H16BrNO2
Molecular Weight406.28 g/mol
Exact Mass405.04
IUPAC NameN-(5-bromo-2-phenyl-1-benzofuran-3-yl)-N-methylbenzamide
SMILESCN(C(=O)c1ccccc1)c1c(-c2ccccc2)oc2ccc(Br)cc12
InChIInChI=1S/C22H16BrNO2/c1-24(22(25)16-10-6-3-7-11-16)20-18-14-17(23)12-13-19(18)26-21(20)15-8-4-2-5-9-15/h2-14H,1H3
InChIKeyYOUXXVYVGHPLDG-UHFFFAOYSA-N
XLogP6.14
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.28
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-phenyl-1-benzofuran-3-yl)-N-methylbenzamide?
The IUPAC name of N-(5-bromo-2-phenyl-1-benzofuran-3-yl)-N-methylbenzamide (CID 102531456) is N-(5-bromo-2-phenyl-1-benzofuran-3-yl)-N-methylbenzamide.
What is the SMILES notation for N-(5-bromo-2-phenyl-1-benzofuran-3-yl)-N-methylbenzamide?
The canonical SMILES for N-(5-bromo-2-phenyl-1-benzofuran-3-yl)-N-methylbenzamide is CN(C(=O)c1ccccc1)c1c(-c2ccccc2)oc2ccc(Br)cc12.
What is the InChIKey of N-(5-bromo-2-phenyl-1-benzofuran-3-yl)-N-methylbenzamide?
The InChIKey is YOUXXVYVGHPLDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16BrNO2/c1-24(22(25)16-10-6-3-7-11-16)20-18-14-17(23)12-13-19(18)26-21(20)15-8-4-2-5-9-15/h2-14H,1H3.
What are the key properties of N-(5-bromo-2-phenyl-1-benzofuran-3-yl)-N-methylbenzamide?
N-(5-bromo-2-phenyl-1-benzofuran-3-yl)-N-methylbenzamide has a molecular weight of 406.28 g/mol, XLogP of 6.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-phenyl-1-benzofuran-3-yl)-N-methylbenzamide is sourced from PubChem (CID 102531456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).