N-benzyl-2-methylfuran-3-carboxamide

C13H13NO2 — CID 690372

IUPACN-benzyl-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)NCc1ccccc1
InChIInChI=1S/C13H13NO2/c1-10-12(7-8-16-10)13(15)14-9-11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,14,15)
InChIKeyIMSLNUIYIGDJJZ-UHFFFAOYSA-N
MW215.25 g/mol
LogP2.52
Rot. Bonds3

About N-benzyl-2-methylfuran-3-carboxamide

N-benzyl-2-methylfuran-3-carboxamide (PubChem CID 690372) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is N-benzyl-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-methylfuran-3-carboxamide
PubChem CID690372
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC NameN-benzyl-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)NCc1ccccc1
InChIInChI=1S/C13H13NO2/c1-10-12(7-8-16-10)13(15)14-9-11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,14,15)
InChIKeyIMSLNUIYIGDJJZ-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-benzyl-2-methylfuran-3-carboxamide?
The IUPAC name of N-benzyl-2-methylfuran-3-carboxamide (CID 690372) is N-benzyl-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-benzyl-2-methylfuran-3-carboxamide?
The canonical SMILES for N-benzyl-2-methylfuran-3-carboxamide is Cc1occc1C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-methylfuran-3-carboxamide?
The InChIKey is IMSLNUIYIGDJJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2/c1-10-12(7-8-16-10)13(15)14-9-11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,14,15).
What are the key properties of N-benzyl-2-methylfuran-3-carboxamide?
N-benzyl-2-methylfuran-3-carboxamide 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-benzyl-2-methylfuran-3-carboxamide is sourced from PubChem (CID 690372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).