N-(furan-2-ylmethyl)-4-methylbenzamide

C13H13NO2 — CID 674887

IUPACN-(furan-2-ylmethyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)NCc2ccco2)cc1
InChIInChI=1S/C13H13NO2/c1-10-4-6-11(7-5-10)13(15)14-9-12-3-2-8-16-12/h2-8H,9H2,1H3,(H,14,15)
InChIKeyBJNKXNBPVDNGMF-UHFFFAOYSA-N
MW215.25 g/mol
LogP2.52
Rot. Bonds3

About N-(furan-2-ylmethyl)-4-methylbenzamide

N-(furan-2-ylmethyl)-4-methylbenzamide (PubChem CID 674887) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-4-methylbenzamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-4-methylbenzamide
PubChem CID674887
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC NameN-(furan-2-ylmethyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)NCc2ccco2)cc1
InChIInChI=1S/C13H13NO2/c1-10-4-6-11(7-5-10)13(15)14-9-12-3-2-8-16-12/h2-8H,9H2,1H3,(H,14,15)
InChIKeyBJNKXNBPVDNGMF-UHFFFAOYSA-N
XLogP2.52
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-4-methylbenzamide?
The IUPAC name of N-(furan-2-ylmethyl)-4-methylbenzamide (CID 674887) is N-(furan-2-ylmethyl)-4-methylbenzamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-4-methylbenzamide?
The canonical SMILES for N-(furan-2-ylmethyl)-4-methylbenzamide is Cc1ccc(C(=O)NCc2ccco2)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-4-methylbenzamide?
The InChIKey is BJNKXNBPVDNGMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2/c1-10-4-6-11(7-5-10)13(15)14-9-12-3-2-8-16-12/h2-8H,9H2,1H3,(H,14,15).
What are the key properties of N-(furan-2-ylmethyl)-4-methylbenzamide?
N-(furan-2-ylmethyl)-4-methylbenzamide has a molecular weight of 215.25 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-4-methylbenzamide is sourced from PubChem (CID 674887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).