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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Related Compounds

5-bromo-N-(3-hydroxy-2-pyridinyl)-3-methyl-1-benzofuran-2-carboxamide
CID 18109302
5-bromo-3-methyl-N-quinolin-8-yl-1-benzofuran-2-carboxamide
CID 9405214
5-bromo-3-methyl-N-(1-methylpyrazol-3-yl)-1-benzofuran-2-carboxamide
CID 17420094
5-bromo-3-methyl-N-[2-(trifluoromethyl)phenyl]-1-benzofuran-2-carboxamide
CID 35181529
5-bromo-N,3-dimethyl-N-(pyridin-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 71888966
N-(4-acetylphenyl)-5-bromo-3-methyl-1-benzofuran-2-carboxamide
CID 2115784
5-bromo-N-(4-ethoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 3601277
5-bromo-2-chloro-N-pyridin-2-ylbenzamide
CID 774435
5-bromo-3-methyl-N-(pyridin-4-ylmethyl)-1-benzofuran-2-carboxamide
CID 852717
5-bromo-N-(3-ethynylphenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 36663983
5-bromo-3-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)-1-benzofuran-2-carboxamide
CID 3385821
5-bromo-2-iodo-N-pyridin-2-ylbenzamide
CID 23819192

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).