3-cyano-N-[2-(furan-3-yl)phenyl]furan-2-carboxamide

C16H10N2O3 — CID 91298034

IUPAC3-cyano-N-[2-(furan-3-yl)phenyl]furan-2-carboxamide
SMILESN#Cc1ccoc1C(=O)Nc1ccccc1-c1ccoc1
InChIInChI=1S/C16H10N2O3/c17-9-11-6-8-21-15(11)16(19)18-14-4-2-1-3-13(14)12-5-7-20-10-12/h1-8,10H,(H,18,19)
InChIKeyPPQXVXKWDZSJNX-UHFFFAOYSA-N
MW278.27 g/mol
LogP3.66
Rot. Bonds3

About 3-cyano-N-[2-(furan-3-yl)phenyl]furan-2-carboxamide

3-cyano-N-[2-(furan-3-yl)phenyl]furan-2-carboxamide (PubChem CID 91298034) has the molecular formula C16H10N2O3 and a molecular weight of 278.27 g/mol. Its IUPAC name is 3-cyano-N-[2-(furan-3-yl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name3-cyano-N-[2-(furan-3-yl)phenyl]furan-2-carboxamide
PubChem CID91298034
Molecular FormulaC16H10N2O3
Molecular Weight278.27 g/mol
Exact Mass278.07
IUPAC Name3-cyano-N-[2-(furan-3-yl)phenyl]furan-2-carboxamide
SMILESN#Cc1ccoc1C(=O)Nc1ccccc1-c1ccoc1
InChIInChI=1S/C16H10N2O3/c17-9-11-6-8-21-15(11)16(19)18-14-4-2-1-3-13(14)12-5-7-20-10-12/h1-8,10H,(H,18,19)
InChIKeyPPQXVXKWDZSJNX-UHFFFAOYSA-N
XLogP3.66
TPSA79.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[2-(furan-3-yl)phenyl]furan-2-carboxamide?
The IUPAC name of 3-cyano-N-[2-(furan-3-yl)phenyl]furan-2-carboxamide (CID 91298034) is 3-cyano-N-[2-(furan-3-yl)phenyl]furan-2-carboxamide.
What is the SMILES notation for 3-cyano-N-[2-(furan-3-yl)phenyl]furan-2-carboxamide?
The canonical SMILES for 3-cyano-N-[2-(furan-3-yl)phenyl]furan-2-carboxamide is N#Cc1ccoc1C(=O)Nc1ccccc1-c1ccoc1.
What is the InChIKey of 3-cyano-N-[2-(furan-3-yl)phenyl]furan-2-carboxamide?
The InChIKey is PPQXVXKWDZSJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N2O3/c17-9-11-6-8-21-15(11)16(19)18-14-4-2-1-3-13(14)12-5-7-20-10-12/h1-8,10H,(H,18,19).
What are the key properties of 3-cyano-N-[2-(furan-3-yl)phenyl]furan-2-carboxamide?
3-cyano-N-[2-(furan-3-yl)phenyl]furan-2-carboxamide has a molecular weight of 278.27 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[2-(furan-3-yl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 91298034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).