N-(5-formylfuran-2-yl)benzamide

C12H9NO3 — CID 101198760

IUPACN-(5-formylfuran-2-yl)benzamide
SMILESO=Cc1ccc(NC(=O)c2ccccc2)o1
InChIInChI=1S/C12H9NO3/c14-8-10-6-7-11(16-10)13-12(15)9-4-2-1-3-5-9/h1-8H,(H,13,15)
InChIKeyTZPWCIGMDHGQHC-UHFFFAOYSA-N
MW215.21 g/mol
LogP2.34
Rot. Bonds3

About N-(5-formylfuran-2-yl)benzamide

N-(5-formylfuran-2-yl)benzamide (PubChem CID 101198760) has the molecular formula C12H9NO3 and a molecular weight of 215.21 g/mol. Its IUPAC name is N-(5-formylfuran-2-yl)benzamide.

Molecular Properties

Compound NameN-(5-formylfuran-2-yl)benzamide
PubChem CID101198760
Molecular FormulaC12H9NO3
Molecular Weight215.21 g/mol
Exact Mass215.06
IUPAC NameN-(5-formylfuran-2-yl)benzamide
SMILESO=Cc1ccc(NC(=O)c2ccccc2)o1
InChIInChI=1S/C12H9NO3/c14-8-10-6-7-11(16-10)13-12(15)9-4-2-1-3-5-9/h1-8H,(H,13,15)
InChIKeyTZPWCIGMDHGQHC-UHFFFAOYSA-N
XLogP2.34
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(5-formylfuran-2-yl)benzamide?
The IUPAC name of N-(5-formylfuran-2-yl)benzamide (CID 101198760) is N-(5-formylfuran-2-yl)benzamide.
What is the SMILES notation for N-(5-formylfuran-2-yl)benzamide?
The canonical SMILES for N-(5-formylfuran-2-yl)benzamide is O=Cc1ccc(NC(=O)c2ccccc2)o1.
What is the InChIKey of N-(5-formylfuran-2-yl)benzamide?
The InChIKey is TZPWCIGMDHGQHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO3/c14-8-10-6-7-11(16-10)13-12(15)9-4-2-1-3-5-9/h1-8H,(H,13,15).
What are the key properties of N-(5-formylfuran-2-yl)benzamide?
N-(5-formylfuran-2-yl)benzamide has a molecular weight of 215.21 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-formylfuran-2-yl)benzamide is sourced from PubChem (CID 101198760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).