N-cyano-3-phenylfuran-2-carboxamide

C12H8N2O2 — CID 79194382

IUPACN-cyano-3-phenylfuran-2-carboxamide
SMILESN#CNC(=O)c1occc1-c1ccccc1
InChIInChI=1S/C12H8N2O2/c13-8-14-12(15)11-10(6-7-16-11)9-4-2-1-3-5-9/h1-7H,(H,14,15)
InChIKeyJUZMFOGIDVEXJZ-UHFFFAOYSA-N
MW212.21 g/mol
LogP2.16
Rot. Bonds2

About N-cyano-3-phenylfuran-2-carboxamide

N-cyano-3-phenylfuran-2-carboxamide (PubChem CID 79194382) has the molecular formula C12H8N2O2 and a molecular weight of 212.21 g/mol. Its IUPAC name is N-cyano-3-phenylfuran-2-carboxamide.

Molecular Properties

Compound NameN-cyano-3-phenylfuran-2-carboxamide
PubChem CID79194382
Molecular FormulaC12H8N2O2
Molecular Weight212.21 g/mol
Exact Mass212.06
IUPAC NameN-cyano-3-phenylfuran-2-carboxamide
SMILESN#CNC(=O)c1occc1-c1ccccc1
InChIInChI=1S/C12H8N2O2/c13-8-14-12(15)11-10(6-7-16-11)9-4-2-1-3-5-9/h1-7H,(H,14,15)
InChIKeyJUZMFOGIDVEXJZ-UHFFFAOYSA-N
XLogP2.16
TPSA66.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyano-3-phenylfuran-2-carboxamide?
The IUPAC name of N-cyano-3-phenylfuran-2-carboxamide (CID 79194382) is N-cyano-3-phenylfuran-2-carboxamide.
What is the SMILES notation for N-cyano-3-phenylfuran-2-carboxamide?
The canonical SMILES for N-cyano-3-phenylfuran-2-carboxamide is N#CNC(=O)c1occc1-c1ccccc1.
What is the InChIKey of N-cyano-3-phenylfuran-2-carboxamide?
The InChIKey is JUZMFOGIDVEXJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O2/c13-8-14-12(15)11-10(6-7-16-11)9-4-2-1-3-5-9/h1-7H,(H,14,15).
What are the key properties of N-cyano-3-phenylfuran-2-carboxamide?
N-cyano-3-phenylfuran-2-carboxamide has a molecular weight of 212.21 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyano-3-phenylfuran-2-carboxamide is sourced from PubChem (CID 79194382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).