N-[(2-methoxyphenyl)methyl]-1-benzofuran-2-carboxamide

C17H15NO3 — CID 2469681

IUPACN-[(2-methoxyphenyl)methyl]-1-benzofuran-2-carboxamide
SMILESCOc1ccccc1CNC(=O)c1cc2ccccc2o1
InChIInChI=1S/C17H15NO3/c1-20-14-8-4-3-7-13(14)11-18-17(19)16-10-12-6-2-5-9-15(12)21-16/h2-10H,11H2,1H3,(H,18,19)
InChIKeyQOSZDMFZFJGBRQ-UHFFFAOYSA-N
MW281.31 g/mol
LogP3.37
Rot. Bonds4

About N-[(2-methoxyphenyl)methyl]-1-benzofuran-2-carboxamide

N-[(2-methoxyphenyl)methyl]-1-benzofuran-2-carboxamide (PubChem CID 2469681) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-1-benzofuran-2-carboxamide
PubChem CID2469681
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC NameN-[(2-methoxyphenyl)methyl]-1-benzofuran-2-carboxamide
SMILESCOc1ccccc1CNC(=O)c1cc2ccccc2o1
InChIInChI=1S/C17H15NO3/c1-20-14-8-4-3-7-13(14)11-18-17(19)16-10-12-6-2-5-9-15(12)21-16/h2-10H,11H2,1H3,(H,18,19)
InChIKeyQOSZDMFZFJGBRQ-UHFFFAOYSA-N
XLogP3.37
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-1-benzofuran-2-carboxamide (CID 2469681) is N-[(2-methoxyphenyl)methyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-1-benzofuran-2-carboxamide is COc1ccccc1CNC(=O)c1cc2ccccc2o1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-1-benzofuran-2-carboxamide?
The InChIKey is QOSZDMFZFJGBRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c1-20-14-8-4-3-7-13(14)11-18-17(19)16-10-12-6-2-5-9-15(12)21-16/h2-10H,11H2,1H3,(H,18,19).
What are the key properties of N-[(2-methoxyphenyl)methyl]-1-benzofuran-2-carboxamide?
N-[(2-methoxyphenyl)methyl]-1-benzofuran-2-carboxamide has a molecular weight of 281.31 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 2469681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).