N-[1-(furan-2-yl)ethyl]-2-hydroxy-3-nitrobenzamide

C13H12N2O5 — CID 103799854

IUPACN-[1-(furan-2-yl)ethyl]-2-hydroxy-3-nitrobenzamide
SMILESCC(NC(=O)c1cccc([N+](=O)[O-])c1O)c1ccco1
InChIInChI=1S/C13H12N2O5/c1-8(11-6-3-7-20-11)14-13(17)9-4-2-5-10(12(9)16)15(18)19/h2-8,16H,1H3,(H,14,17)
InChIKeyUWCZCBZVGYRUFK-UHFFFAOYSA-N
MW276.25 g/mol
LogP2.38
Rot. Bonds4

About N-[1-(furan-2-yl)ethyl]-2-hydroxy-3-nitrobenzamide

N-[1-(furan-2-yl)ethyl]-2-hydroxy-3-nitrobenzamide (PubChem CID 103799854) has the molecular formula C13H12N2O5 and a molecular weight of 276.25 g/mol. Its IUPAC name is N-[1-(furan-2-yl)ethyl]-2-hydroxy-3-nitrobenzamide.

Molecular Properties

Compound NameN-[1-(furan-2-yl)ethyl]-2-hydroxy-3-nitrobenzamide
PubChem CID103799854
Molecular FormulaC13H12N2O5
Molecular Weight276.25 g/mol
Exact Mass276.07
IUPAC NameN-[1-(furan-2-yl)ethyl]-2-hydroxy-3-nitrobenzamide
SMILESCC(NC(=O)c1cccc([N+](=O)[O-])c1O)c1ccco1
InChIInChI=1S/C13H12N2O5/c1-8(11-6-3-7-20-11)14-13(17)9-4-2-5-10(12(9)16)15(18)19/h2-8,16H,1H3,(H,14,17)
InChIKeyUWCZCBZVGYRUFK-UHFFFAOYSA-N
XLogP2.38
TPSA105.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.25
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[1-(furan-2-yl)ethyl]-2-hydroxy-3-nitrobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-fluoro-N-[1-(furan-2-yl)ethyl]-2-nitrobenzamide
CID 60875839
2,5-difluoro-N-[1-(furan-2-yl)ethyl]-4-nitrobenzamide
CID 115766373
N-(3-ethylpentan-2-yl)-2-hydroxy-3-nitrobenzamide
CID 102741844
N-[1-(furan-2-yl)ethyl]-6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 18116893
2-hydroxy-3-nitro-N-(4,4,4-trifluorobutan-2-yl)benzamide
CID 104862632
2-hydroxy-3-nitro-N-pent-4-en-2-ylbenzamide
CID 103800269
4-bromo-N-[(1S)-1-(furan-2-yl)ethyl]-3-nitrobenzamide
CID 9482035
2-hydroxy-3-nitro-N-[(1R)-1-(oxan-4-yl)ethyl]benzamide
CID 99717080
N-[1-(furan-2-yl)ethyl]-2-(methylamino)-5-nitrobenzamide
CID 18116900
2-hydroxy-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-nitrobenzamide
CID 167884060
2-chloro-N-[1-(furan-2-yl)ethyl]benzamide
CID 18116836
2-hydroxy-3-nitrobenzohydrazide
CID 11367606

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-yl)ethyl]-2-hydroxy-3-nitrobenzamide?
The IUPAC name of N-[1-(furan-2-yl)ethyl]-2-hydroxy-3-nitrobenzamide (CID 103799854) is N-[1-(furan-2-yl)ethyl]-2-hydroxy-3-nitrobenzamide.
What is the SMILES notation for N-[1-(furan-2-yl)ethyl]-2-hydroxy-3-nitrobenzamide?
The canonical SMILES for N-[1-(furan-2-yl)ethyl]-2-hydroxy-3-nitrobenzamide is CC(NC(=O)c1cccc([N+](=O)[O-])c1O)c1ccco1.
What is the InChIKey of N-[1-(furan-2-yl)ethyl]-2-hydroxy-3-nitrobenzamide?
The InChIKey is UWCZCBZVGYRUFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O5/c1-8(11-6-3-7-20-11)14-13(17)9-4-2-5-10(12(9)16)15(18)19/h2-8,16H,1H3,(H,14,17).
What are the key properties of N-[1-(furan-2-yl)ethyl]-2-hydroxy-3-nitrobenzamide?
N-[1-(furan-2-yl)ethyl]-2-hydroxy-3-nitrobenzamide has a molecular weight of 276.25 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-yl)ethyl]-2-hydroxy-3-nitrobenzamide is sourced from PubChem (CID 103799854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).