N-(2-hydroxybenzoyl)furan-3-carboxamide

C12H9NO4 — CID 2815416

IUPACN-(2-hydroxybenzoyl)furan-3-carboxamide
SMILESO=C(NC(=O)c1ccccc1O)c1ccoc1
InChIInChI=1S/C12H9NO4/c14-10-4-2-1-3-9(10)12(16)13-11(15)8-5-6-17-7-8/h1-7,14H,(H,13,15,16)
InChIKeyWTZWAGSBCKGCCG-UHFFFAOYSA-N
MW231.21 g/mol
LogP1.56
Rot. Bonds2

About N-(2-hydroxybenzoyl)furan-3-carboxamide

N-(2-hydroxybenzoyl)furan-3-carboxamide (PubChem CID 2815416) has the molecular formula C12H9NO4 and a molecular weight of 231.21 g/mol. Its IUPAC name is N-(2-hydroxybenzoyl)furan-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxybenzoyl)furan-3-carboxamide
PubChem CID2815416
Molecular FormulaC12H9NO4
Molecular Weight231.21 g/mol
Exact Mass231.05
IUPAC NameN-(2-hydroxybenzoyl)furan-3-carboxamide
SMILESO=C(NC(=O)c1ccccc1O)c1ccoc1
InChIInChI=1S/C12H9NO4/c14-10-4-2-1-3-9(10)12(16)13-11(15)8-5-6-17-7-8/h1-7,14H,(H,13,15,16)
InChIKeyWTZWAGSBCKGCCG-UHFFFAOYSA-N
XLogP1.56
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.21
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxybenzoyl)furan-3-carboxamide?
The IUPAC name of N-(2-hydroxybenzoyl)furan-3-carboxamide (CID 2815416) is N-(2-hydroxybenzoyl)furan-3-carboxamide.
What is the SMILES notation for N-(2-hydroxybenzoyl)furan-3-carboxamide?
The canonical SMILES for N-(2-hydroxybenzoyl)furan-3-carboxamide is O=C(NC(=O)c1ccccc1O)c1ccoc1.
What is the InChIKey of N-(2-hydroxybenzoyl)furan-3-carboxamide?
The InChIKey is WTZWAGSBCKGCCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO4/c14-10-4-2-1-3-9(10)12(16)13-11(15)8-5-6-17-7-8/h1-7,14H,(H,13,15,16).
What are the key properties of N-(2-hydroxybenzoyl)furan-3-carboxamide?
N-(2-hydroxybenzoyl)furan-3-carboxamide has a molecular weight of 231.21 g/mol, XLogP of 1.56, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxybenzoyl)furan-3-carboxamide is sourced from PubChem (CID 2815416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).