5-bromo-N-(furan-2-ylmethyl)-3-methyl-1-benzofuran-2-carboxamide

C15H12BrNO3 — CID 2496310

IUPAC5-bromo-N-(furan-2-ylmethyl)-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NCc2ccco2)oc2ccc(Br)cc12
InChIInChI=1S/C15H12BrNO3/c1-9-12-7-10(16)4-5-13(12)20-14(9)15(18)17-8-11-3-2-6-19-11/h2-7H,8H2,1H3,(H,17,18)
InChIKeyDRXRCLHQSFRYQP-UHFFFAOYSA-N
MW334.17 g/mol
LogP4.03
Rot. Bonds3

About 5-bromo-N-(furan-2-ylmethyl)-3-methyl-1-benzofuran-2-carboxamide

5-bromo-N-(furan-2-ylmethyl)-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 2496310) has the molecular formula C15H12BrNO3 and a molecular weight of 334.17 g/mol. Its IUPAC name is 5-bromo-N-(furan-2-ylmethyl)-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(furan-2-ylmethyl)-3-methyl-1-benzofuran-2-carboxamide
PubChem CID2496310
Molecular FormulaC15H12BrNO3
Molecular Weight334.17 g/mol
Exact Mass333.00
IUPAC Name5-bromo-N-(furan-2-ylmethyl)-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NCc2ccco2)oc2ccc(Br)cc12
InChIInChI=1S/C15H12BrNO3/c1-9-12-7-10(16)4-5-13(12)20-14(9)15(18)17-8-11-3-2-6-19-11/h2-7H,8H2,1H3,(H,17,18)
InChIKeyDRXRCLHQSFRYQP-UHFFFAOYSA-N
XLogP4.03
TPSA55.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.17
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(furan-2-ylmethyl)-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of 5-bromo-N-(furan-2-ylmethyl)-3-methyl-1-benzofuran-2-carboxamide (CID 2496310) is 5-bromo-N-(furan-2-ylmethyl)-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(furan-2-ylmethyl)-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-bromo-N-(furan-2-ylmethyl)-3-methyl-1-benzofuran-2-carboxamide is Cc1c(C(=O)NCc2ccco2)oc2ccc(Br)cc12.
What is the InChIKey of 5-bromo-N-(furan-2-ylmethyl)-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is DRXRCLHQSFRYQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrNO3/c1-9-12-7-10(16)4-5-13(12)20-14(9)15(18)17-8-11-3-2-6-19-11/h2-7H,8H2,1H3,(H,17,18).
What are the key properties of 5-bromo-N-(furan-2-ylmethyl)-3-methyl-1-benzofuran-2-carboxamide?
5-bromo-N-(furan-2-ylmethyl)-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 334.17 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(furan-2-ylmethyl)-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 2496310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).