N-(furan-2-ylmethyl)-2-methoxybenzamide

C13H13NO3 — CID 803371

IUPACN-(furan-2-ylmethyl)-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCc1ccco1
InChIInChI=1S/C13H13NO3/c1-16-12-7-3-2-6-11(12)13(15)14-9-10-5-4-8-17-10/h2-8H,9H2,1H3,(H,14,15)
InChIKeyPQHWWRAXRWCRIG-UHFFFAOYSA-N
MW231.25 g/mol
LogP2.22
Rot. Bonds4

About N-(furan-2-ylmethyl)-2-methoxybenzamide

N-(furan-2-ylmethyl)-2-methoxybenzamide (PubChem CID 803371) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-methoxybenzamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-methoxybenzamide
PubChem CID803371
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC NameN-(furan-2-ylmethyl)-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCc1ccco1
InChIInChI=1S/C13H13NO3/c1-16-12-7-3-2-6-11(12)13(15)14-9-10-5-4-8-17-10/h2-8H,9H2,1H3,(H,14,15)
InChIKeyPQHWWRAXRWCRIG-UHFFFAOYSA-N
XLogP2.22
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 52.22
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-methoxybenzamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-methoxybenzamide (CID 803371) is N-(furan-2-ylmethyl)-2-methoxybenzamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-methoxybenzamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-methoxybenzamide is COc1ccccc1C(=O)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-methoxybenzamide?
The InChIKey is PQHWWRAXRWCRIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3/c1-16-12-7-3-2-6-11(12)13(15)14-9-10-5-4-8-17-10/h2-8H,9H2,1H3,(H,14,15).
What are the key properties of N-(furan-2-ylmethyl)-2-methoxybenzamide?
N-(furan-2-ylmethyl)-2-methoxybenzamide has a molecular weight of 231.25 g/mol, XLogP of 2.22, 4 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-methoxybenzamide is sourced from PubChem (CID 803371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).