N-benzyl-1-benzofuran-2-carboxamide

C16H13NO2 — CID 725659

IUPACN-benzyl-1-benzofuran-2-carboxamide
SMILESO=C(NCc1ccccc1)c1cc2ccccc2o1
InChIInChI=1S/C16H13NO2/c18-16(17-11-12-6-2-1-3-7-12)15-10-13-8-4-5-9-14(13)19-15/h1-10H,11H2,(H,17,18)
InChIKeyPXXKUMAFAKTNRF-UHFFFAOYSA-N
MW251.29 g/mol
LogP3.36
Rot. Bonds3

About N-benzyl-1-benzofuran-2-carboxamide

N-benzyl-1-benzofuran-2-carboxamide (PubChem CID 725659) has the molecular formula C16H13NO2 and a molecular weight of 251.29 g/mol. Its IUPAC name is N-benzyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-benzofuran-2-carboxamide
PubChem CID725659
Molecular FormulaC16H13NO2
Molecular Weight251.29 g/mol
Exact Mass251.09
IUPAC NameN-benzyl-1-benzofuran-2-carboxamide
SMILESO=C(NCc1ccccc1)c1cc2ccccc2o1
InChIInChI=1S/C16H13NO2/c18-16(17-11-12-6-2-1-3-7-12)15-10-13-8-4-5-9-14(13)19-15/h1-10H,11H2,(H,17,18)
InChIKeyPXXKUMAFAKTNRF-UHFFFAOYSA-N
XLogP3.36
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-benzyl-1-benzofuran-2-carboxamide (CID 725659) is N-benzyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-benzyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-benzyl-1-benzofuran-2-carboxamide is O=C(NCc1ccccc1)c1cc2ccccc2o1.
What is the InChIKey of N-benzyl-1-benzofuran-2-carboxamide?
The InChIKey is PXXKUMAFAKTNRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO2/c18-16(17-11-12-6-2-1-3-7-12)15-10-13-8-4-5-9-14(13)19-15/h1-10H,11H2,(H,17,18).
What are the key properties of N-benzyl-1-benzofuran-2-carboxamide?
N-benzyl-1-benzofuran-2-carboxamide has a molecular weight of 251.29 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 725659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).