N-(furan-2-ylmethyl)-2,3-dihydro-1-benzofuran-5-carboxamide

C14H13NO3 — CID 2810990

IUPACN-(furan-2-ylmethyl)-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESO=C(NCc1ccco1)c1ccc2c(c1)CCO2
InChIInChI=1S/C14H13NO3/c16-14(15-9-12-2-1-6-17-12)11-3-4-13-10(8-11)5-7-18-13/h1-4,6,8H,5,7,9H2,(H,15,16)
InChIKeyXNWAMFICMGJADL-UHFFFAOYSA-N
MW243.26 g/mol
LogP2.14
Rot. Bonds3

About N-(furan-2-ylmethyl)-2,3-dihydro-1-benzofuran-5-carboxamide

N-(furan-2-ylmethyl)-2,3-dihydro-1-benzofuran-5-carboxamide (PubChem CID 2810990) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2,3-dihydro-1-benzofuran-5-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2,3-dihydro-1-benzofuran-5-carboxamide
PubChem CID2810990
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC NameN-(furan-2-ylmethyl)-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESO=C(NCc1ccco1)c1ccc2c(c1)CCO2
InChIInChI=1S/C14H13NO3/c16-14(15-9-12-2-1-6-17-12)11-3-4-13-10(8-11)5-7-18-13/h1-4,6,8H,5,7,9H2,(H,15,16)
InChIKeyXNWAMFICMGJADL-UHFFFAOYSA-N
XLogP2.14
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 52.14
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)-2,3-dihydro-1-benzofuran-5-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-2,3-dihydro-1-benzofuran-5-carboxamide (CID 2810990) is N-(furan-2-ylmethyl)-2,3-dihydro-1-benzofuran-5-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2,3-dihydro-1-benzofuran-5-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2,3-dihydro-1-benzofuran-5-carboxamide is O=C(NCc1ccco1)c1ccc2c(c1)CCO2.
What is the InChIKey of N-(furan-2-ylmethyl)-2,3-dihydro-1-benzofuran-5-carboxamide?
The InChIKey is XNWAMFICMGJADL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3/c16-14(15-9-12-2-1-6-17-12)11-3-4-13-10(8-11)5-7-18-13/h1-4,6,8H,5,7,9H2,(H,15,16).
What are the key properties of N-(furan-2-ylmethyl)-2,3-dihydro-1-benzofuran-5-carboxamide?
N-(furan-2-ylmethyl)-2,3-dihydro-1-benzofuran-5-carboxamide has a molecular weight of 243.26 g/mol, XLogP of 2.14, 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)-2,3-dihydro-1-benzofuran-5-carboxamide is sourced from PubChem (CID 2810990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).