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

C13H11NO4 — CID 57386537

IUPACN-(2-hydroxybenzoyl)-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)NC(=O)c1ccccc1O
InChIInChI=1S/C13H11NO4/c1-8-9(6-7-18-8)12(16)14-13(17)10-4-2-3-5-11(10)15/h2-7,15H,1H3,(H,14,16,17)
InChIKeyORQATDHBAUBGCF-UHFFFAOYSA-N
MW245.23 g/mol
LogP1.86
Rot. Bonds2

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

N-(2-hydroxybenzoyl)-2-methylfuran-3-carboxamide (PubChem CID 57386537) has the molecular formula C13H11NO4 and a molecular weight of 245.23 g/mol. Its IUPAC name is N-(2-hydroxybenzoyl)-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxybenzoyl)-2-methylfuran-3-carboxamide
PubChem CID57386537
Molecular FormulaC13H11NO4
Molecular Weight245.23 g/mol
Exact Mass245.07
IUPAC NameN-(2-hydroxybenzoyl)-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)NC(=O)c1ccccc1O
InChIInChI=1S/C13H11NO4/c1-8-9(6-7-18-8)12(16)14-13(17)10-4-2-3-5-11(10)15/h2-7,15H,1H3,(H,14,16,17)
InChIKeyORQATDHBAUBGCF-UHFFFAOYSA-N
XLogP1.86
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.23
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(furan-2-ylmethyl)-2-hydroxybenzamide
CID 673217
2-hydroxy-N-[2-(2-methoxyphenyl)acetyl]benzamide
CID 2815183
N-benzyl-2-methylfuran-3-carboxamide
CID 690372
3-[(2-Methyl-3-furoyl)amino]benzoic acid
CID 778282
2-methyl-N-(4-phenylbutyl)furan-3-carboxamide
CID 2164788
N-(2-Ethoxybenzoyl)ethanimidato
CID 211525
2-methyl-N-(3-phenylpropyl)furan-3-carboxamide
CID 2165345
(4E)-4-(furan-2-ylmethylidene)-2-(2-hydroxybenzoyl)-5-methylpyrazol-3-one
CID 5467420
N'-(2-hydroxybenzoyl)-2-methylfuran-3-carbohydrazide
CID 24285123
N'-(2-hydroxybenzoyl)-2,5-dimethylfuran-3-carbohydrazide
CID 7535108
N-[(2-methoxyphenyl)methyl]-2-methylfuran-3-carboxamide
CID 1244119
N-[2-(2-methoxyphenyl)ethyl]-2-methylfuran-3-carboxamide
CID 1246637

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxybenzoyl)-2-methylfuran-3-carboxamide?
The IUPAC name of N-(2-hydroxybenzoyl)-2-methylfuran-3-carboxamide (CID 57386537) is N-(2-hydroxybenzoyl)-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-(2-hydroxybenzoyl)-2-methylfuran-3-carboxamide?
The canonical SMILES for N-(2-hydroxybenzoyl)-2-methylfuran-3-carboxamide is Cc1occc1C(=O)NC(=O)c1ccccc1O.
What is the InChIKey of N-(2-hydroxybenzoyl)-2-methylfuran-3-carboxamide?
The InChIKey is ORQATDHBAUBGCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO4/c1-8-9(6-7-18-8)12(16)14-13(17)10-4-2-3-5-11(10)15/h2-7,15H,1H3,(H,14,16,17).
What are the key properties of N-(2-hydroxybenzoyl)-2-methylfuran-3-carboxamide?
N-(2-hydroxybenzoyl)-2-methylfuran-3-carboxamide has a molecular weight of 245.23 g/mol, XLogP of 1.86, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxybenzoyl)-2-methylfuran-3-carboxamide is sourced from PubChem (CID 57386537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).