5-bromo-3-methyl-1-benzofuran-2-carboxamide

C10H8BrNO2 — CID 43236669

IUPAC5-bromo-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(N)=O)oc2ccc(Br)cc12
InChIInChI=1S/C10H8BrNO2/c1-5-7-4-6(11)2-3-8(7)14-9(5)10(12)13/h2-4H,1H3,(H2,12,13)
InChIKeyGYTSTTJYQZEMFW-UHFFFAOYSA-N
MW254.08 g/mol
LogP2.60
Rot. Bonds1

About 5-bromo-3-methyl-1-benzofuran-2-carboxamide

5-bromo-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 43236669) has the molecular formula C10H8BrNO2 and a molecular weight of 254.08 g/mol. Its IUPAC name is 5-bromo-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-bromo-3-methyl-1-benzofuran-2-carboxamide
PubChem CID43236669
Molecular FormulaC10H8BrNO2
Molecular Weight254.08 g/mol
Exact Mass252.97
IUPAC Name5-bromo-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(N)=O)oc2ccc(Br)cc12
InChIInChI=1S/C10H8BrNO2/c1-5-7-4-6(11)2-3-8(7)14-9(5)10(12)13/h2-4H,1H3,(H2,12,13)
InChIKeyGYTSTTJYQZEMFW-UHFFFAOYSA-N
XLogP2.60
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.08
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of 5-bromo-3-methyl-1-benzofuran-2-carboxamide (CID 43236669) is 5-bromo-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-bromo-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-bromo-3-methyl-1-benzofuran-2-carboxamide is Cc1c(C(N)=O)oc2ccc(Br)cc12.
What is the InChIKey of 5-bromo-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is GYTSTTJYQZEMFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrNO2/c1-5-7-4-6(11)2-3-8(7)14-9(5)10(12)13/h2-4H,1H3,(H2,12,13).
What are the key properties of 5-bromo-3-methyl-1-benzofuran-2-carboxamide?
5-bromo-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 254.08 g/mol, XLogP of 2.60, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 43236669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).