5-bromo-3-methyl-N-pyridin-2-yl-1-benzofuran-2-carboxamide

C15H11BrN2O2 — CID 17461489

IUPAC5-bromo-3-methyl-N-pyridin-2-yl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2ccccn2)oc2ccc(Br)cc12
InChIInChI=1S/C15H11BrN2O2/c1-9-11-8-10(16)5-6-12(11)20-14(9)15(19)18-13-4-2-3-7-17-13/h2-8H,1H3,(H,17,18,19)
InChIKeyWRBHECUQJVZNHY-UHFFFAOYSA-N
MW331.17 g/mol
LogP4.15
Rot. Bonds2

About 5-bromo-3-methyl-N-pyridin-2-yl-1-benzofuran-2-carboxamide

5-bromo-3-methyl-N-pyridin-2-yl-1-benzofuran-2-carboxamide (PubChem CID 17461489) has the molecular formula C15H11BrN2O2 and a molecular weight of 331.17 g/mol. Its IUPAC name is 5-bromo-3-methyl-N-pyridin-2-yl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-bromo-3-methyl-N-pyridin-2-yl-1-benzofuran-2-carboxamide
PubChem CID17461489
Molecular FormulaC15H11BrN2O2
Molecular Weight331.17 g/mol
Exact Mass330.00
IUPAC Name5-bromo-3-methyl-N-pyridin-2-yl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2ccccn2)oc2ccc(Br)cc12
InChIInChI=1S/C15H11BrN2O2/c1-9-11-8-10(16)5-6-12(11)20-14(9)15(19)18-13-4-2-3-7-17-13/h2-8H,1H3,(H,17,18,19)
InChIKeyWRBHECUQJVZNHY-UHFFFAOYSA-N
XLogP4.15
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.17
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-methyl-N-pyridin-2-yl-1-benzofuran-2-carboxamide?
The IUPAC name of 5-bromo-3-methyl-N-pyridin-2-yl-1-benzofuran-2-carboxamide (CID 17461489) is 5-bromo-3-methyl-N-pyridin-2-yl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-bromo-3-methyl-N-pyridin-2-yl-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-bromo-3-methyl-N-pyridin-2-yl-1-benzofuran-2-carboxamide is Cc1c(C(=O)Nc2ccccn2)oc2ccc(Br)cc12.
What is the InChIKey of 5-bromo-3-methyl-N-pyridin-2-yl-1-benzofuran-2-carboxamide?
The InChIKey is WRBHECUQJVZNHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2O2/c1-9-11-8-10(16)5-6-12(11)20-14(9)15(19)18-13-4-2-3-7-17-13/h2-8H,1H3,(H,17,18,19).
What are the key properties of 5-bromo-3-methyl-N-pyridin-2-yl-1-benzofuran-2-carboxamide?
5-bromo-3-methyl-N-pyridin-2-yl-1-benzofuran-2-carboxamide has a molecular weight of 331.17 g/mol, XLogP of 4.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-methyl-N-pyridin-2-yl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 17461489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).