N-(4-cyanophenyl)furan-3-carboxamide

C12H8N2O2 — CID 24701301

IUPACN-(4-cyanophenyl)furan-3-carboxamide
SMILESN#Cc1ccc(NC(=O)c2ccoc2)cc1
InChIInChI=1S/C12H8N2O2/c13-7-9-1-3-11(4-2-9)14-12(15)10-5-6-16-8-10/h1-6,8H,(H,14,15)
InChIKeyNXZKLSOQZLZYNH-UHFFFAOYSA-N
MW212.21 g/mol
LogP2.40
Rot. Bonds2

About N-(4-cyanophenyl)furan-3-carboxamide

N-(4-cyanophenyl)furan-3-carboxamide (PubChem CID 24701301) has the molecular formula C12H8N2O2 and a molecular weight of 212.21 g/mol. Its IUPAC name is N-(4-cyanophenyl)furan-3-carboxamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)furan-3-carboxamide
PubChem CID24701301
Molecular FormulaC12H8N2O2
Molecular Weight212.21 g/mol
Exact Mass212.06
IUPAC NameN-(4-cyanophenyl)furan-3-carboxamide
SMILESN#Cc1ccc(NC(=O)c2ccoc2)cc1
InChIInChI=1S/C12H8N2O2/c13-7-9-1-3-11(4-2-9)14-12(15)10-5-6-16-8-10/h1-6,8H,(H,14,15)
InChIKeyNXZKLSOQZLZYNH-UHFFFAOYSA-N
XLogP2.40
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 ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)furan-3-carboxamide?
The IUPAC name of N-(4-cyanophenyl)furan-3-carboxamide (CID 24701301) is N-(4-cyanophenyl)furan-3-carboxamide.
What is the SMILES notation for N-(4-cyanophenyl)furan-3-carboxamide?
The canonical SMILES for N-(4-cyanophenyl)furan-3-carboxamide is N#Cc1ccc(NC(=O)c2ccoc2)cc1.
What is the InChIKey of N-(4-cyanophenyl)furan-3-carboxamide?
The InChIKey is NXZKLSOQZLZYNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O2/c13-7-9-1-3-11(4-2-9)14-12(15)10-5-6-16-8-10/h1-6,8H,(H,14,15).
What are the key properties of N-(4-cyanophenyl)furan-3-carboxamide?
N-(4-cyanophenyl)furan-3-carboxamide has a molecular weight of 212.21 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)furan-3-carboxamide is sourced from PubChem (CID 24701301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).