4,5-dimethyl-N-phenylfuran-2-carboxamide

C13H13NO2 — CID 1040061

IUPAC4,5-dimethyl-N-phenylfuran-2-carboxamide
SMILESCc1cc(C(=O)Nc2ccccc2)oc1C
InChIInChI=1S/C13H13NO2/c1-9-8-12(16-10(9)2)13(15)14-11-6-4-3-5-7-11/h3-8H,1-2H3,(H,14,15)
InChIKeyZGYSABSRHJSJSI-UHFFFAOYSA-N
MW215.25 g/mol
LogP3.15
Rot. Bonds2

About 4,5-dimethyl-N-phenylfuran-2-carboxamide

4,5-dimethyl-N-phenylfuran-2-carboxamide (PubChem CID 1040061) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is 4,5-dimethyl-N-phenylfuran-2-carboxamide.

Molecular Properties

Compound Name4,5-dimethyl-N-phenylfuran-2-carboxamide
PubChem CID1040061
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Name4,5-dimethyl-N-phenylfuran-2-carboxamide
SMILESCc1cc(C(=O)Nc2ccccc2)oc1C
InChIInChI=1S/C13H13NO2/c1-9-8-12(16-10(9)2)13(15)14-11-6-4-3-5-7-11/h3-8H,1-2H3,(H,14,15)
InChIKeyZGYSABSRHJSJSI-UHFFFAOYSA-N
XLogP3.15
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-N-phenylfuran-2-carboxamide?
The IUPAC name of 4,5-dimethyl-N-phenylfuran-2-carboxamide (CID 1040061) is 4,5-dimethyl-N-phenylfuran-2-carboxamide.
What is the SMILES notation for 4,5-dimethyl-N-phenylfuran-2-carboxamide?
The canonical SMILES for 4,5-dimethyl-N-phenylfuran-2-carboxamide is Cc1cc(C(=O)Nc2ccccc2)oc1C.
What is the InChIKey of 4,5-dimethyl-N-phenylfuran-2-carboxamide?
The InChIKey is ZGYSABSRHJSJSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2/c1-9-8-12(16-10(9)2)13(15)14-11-6-4-3-5-7-11/h3-8H,1-2H3,(H,14,15).
What are the key properties of 4,5-dimethyl-N-phenylfuran-2-carboxamide?
4,5-dimethyl-N-phenylfuran-2-carboxamide has a molecular weight of 215.25 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-N-phenylfuran-2-carboxamide is sourced from PubChem (CID 1040061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).