N-(2-cyanoethyl)-N-phenylfuran-2-carboxamide

C14H12N2O2 — CID 660925

IUPACN-(2-cyanoethyl)-N-phenylfuran-2-carboxamide
SMILESN#CCCN(C(=O)c1ccco1)c1ccccc1
InChIInChI=1S/C14H12N2O2/c15-9-5-10-16(12-6-2-1-3-7-12)14(17)13-8-4-11-18-13/h1-4,6-8,11H,5,10H2
InChIKeyTXTQIMXSZMHSPS-UHFFFAOYSA-N
MW240.26 g/mol
LogP2.84
Rot. Bonds4

About N-(2-cyanoethyl)-N-phenylfuran-2-carboxamide

N-(2-cyanoethyl)-N-phenylfuran-2-carboxamide (PubChem CID 660925) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-phenylfuran-2-carboxamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-phenylfuran-2-carboxamide
PubChem CID660925
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC NameN-(2-cyanoethyl)-N-phenylfuran-2-carboxamide
SMILESN#CCCN(C(=O)c1ccco1)c1ccccc1
InChIInChI=1S/C14H12N2O2/c15-9-5-10-16(12-6-2-1-3-7-12)14(17)13-8-4-11-18-13/h1-4,6-8,11H,5,10H2
InChIKeyTXTQIMXSZMHSPS-UHFFFAOYSA-N
XLogP2.84
TPSA57.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-phenylfuran-2-carboxamide?
The IUPAC name of N-(2-cyanoethyl)-N-phenylfuran-2-carboxamide (CID 660925) is N-(2-cyanoethyl)-N-phenylfuran-2-carboxamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-phenylfuran-2-carboxamide?
The canonical SMILES for N-(2-cyanoethyl)-N-phenylfuran-2-carboxamide is N#CCCN(C(=O)c1ccco1)c1ccccc1.
What is the InChIKey of N-(2-cyanoethyl)-N-phenylfuran-2-carboxamide?
The InChIKey is TXTQIMXSZMHSPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2/c15-9-5-10-16(12-6-2-1-3-7-12)14(17)13-8-4-11-18-13/h1-4,6-8,11H,5,10H2.
What are the key properties of N-(2-cyanoethyl)-N-phenylfuran-2-carboxamide?
N-(2-cyanoethyl)-N-phenylfuran-2-carboxamide has a molecular weight of 240.26 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-phenylfuran-2-carboxamide is sourced from PubChem (CID 660925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).