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

C15H13NO3 — CID 727308

IUPACN-(furan-2-ylmethyl)-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NCc2ccco2)oc2ccccc12
InChIInChI=1S/C15H13NO3/c1-10-12-6-2-3-7-13(12)19-14(10)15(17)16-9-11-5-4-8-18-11/h2-8H,9H2,1H3,(H,16,17)
InChIKeyFQMYJQKFZUMLRQ-UHFFFAOYSA-N
MW255.27 g/mol
LogP3.26
Rot. Bonds3

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

N-(furan-2-ylmethyl)-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 727308) has the molecular formula C15H13NO3 and a molecular weight of 255.27 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-3-methyl-1-benzofuran-2-carboxamide
PubChem CID727308
Molecular FormulaC15H13NO3
Molecular Weight255.27 g/mol
Exact Mass255.09
IUPAC NameN-(furan-2-ylmethyl)-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NCc2ccco2)oc2ccccc12
InChIInChI=1S/C15H13NO3/c1-10-12-6-2-3-7-13(12)19-14(10)15(17)16-9-11-5-4-8-18-11/h2-8H,9H2,1H3,(H,16,17)
InChIKeyFQMYJQKFZUMLRQ-UHFFFAOYSA-N
XLogP3.26
TPSA55.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-3-methyl-1-benzofuran-2-carboxamide (CID 727308) is N-(furan-2-ylmethyl)-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-3-methyl-1-benzofuran-2-carboxamide is Cc1c(C(=O)NCc2ccco2)oc2ccccc12.
What is the InChIKey of N-(furan-2-ylmethyl)-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is FQMYJQKFZUMLRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3/c1-10-12-6-2-3-7-13(12)19-14(10)15(17)16-9-11-5-4-8-18-11/h2-8H,9H2,1H3,(H,16,17).
What are the key properties of N-(furan-2-ylmethyl)-3-methyl-1-benzofuran-2-carboxamide?
N-(furan-2-ylmethyl)-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 255.27 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 727308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).