2,5-difluoro-N-[1-(furan-2-yl)ethyl]-4-nitrobenzamide

C13H10F2N2O4 — CID 115766373

IUPAC2,5-difluoro-N-[1-(furan-2-yl)ethyl]-4-nitrobenzamide
SMILESCC(NC(=O)c1cc(F)c([N+](=O)[O-])cc1F)c1ccco1
InChIInChI=1S/C13H10F2N2O4/c1-7(12-3-2-4-21-12)16-13(18)8-5-10(15)11(17(19)20)6-9(8)14/h2-7H,1H3,(H,16,18)
InChIKeyZLSFSXPCLFKDQA-UHFFFAOYSA-N
MW296.23 g/mol
LogP2.96
Rot. Bonds4

About 2,5-difluoro-N-[1-(furan-2-yl)ethyl]-4-nitrobenzamide

2,5-difluoro-N-[1-(furan-2-yl)ethyl]-4-nitrobenzamide (PubChem CID 115766373) has the molecular formula C13H10F2N2O4 and a molecular weight of 296.23 g/mol. Its IUPAC name is 2,5-difluoro-N-[1-(furan-2-yl)ethyl]-4-nitrobenzamide.

Molecular Properties

Compound Name2,5-difluoro-N-[1-(furan-2-yl)ethyl]-4-nitrobenzamide
PubChem CID115766373
Molecular FormulaC13H10F2N2O4
Molecular Weight296.23 g/mol
Exact Mass296.06
IUPAC Name2,5-difluoro-N-[1-(furan-2-yl)ethyl]-4-nitrobenzamide
SMILESCC(NC(=O)c1cc(F)c([N+](=O)[O-])cc1F)c1ccco1
InChIInChI=1S/C13H10F2N2O4/c1-7(12-3-2-4-21-12)16-13(18)8-5-10(15)11(17(19)20)6-9(8)14/h2-7H,1H3,(H,16,18)
InChIKeyZLSFSXPCLFKDQA-UHFFFAOYSA-N
XLogP2.96
TPSA85.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.23
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-N-[1-(furan-2-yl)ethyl]-2-nitrobenzamide
CID 60875839
2,5-difluoro-4-nitro-N-(1-thiophen-2-ylethyl)benzamide
CID 104699258
N-[1-(furan-2-yl)ethyl]-6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 18116893
N-[1-(furan-2-yl)ethyl]-2-hydroxy-3-nitrobenzamide
CID 103799854
N-[1-(furan-2-yl)ethyl]-2-(methylamino)-5-nitrobenzamide
CID 18116900
4-bromo-N-[(1S)-1-(furan-2-yl)ethyl]-3-nitrobenzamide
CID 9482035
2,5-difluoro-4-nitro-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 103856245
N-(4-amino-4-oxobutan-2-yl)-2,5-difluoro-4-nitrobenzamide
CID 104705350
N-(1-cyanopropan-2-yl)-2,5-difluoro-4-nitrobenzamide
CID 104699357
N-(1-cyclopropylpropan-2-yl)-2,5-difluoro-4-nitrobenzamide
CID 104699393
(1R)-N-[(3-fluoro-4-nitrophenyl)methyl]-1-(furan-2-yl)ethanamine
CID 81399549
3-amino-N-[(1R)-1-(furan-2-yl)ethyl]naphthalene-2-carboxamide
CID 81392741

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-[1-(furan-2-yl)ethyl]-4-nitrobenzamide?
The IUPAC name of 2,5-difluoro-N-[1-(furan-2-yl)ethyl]-4-nitrobenzamide (CID 115766373) is 2,5-difluoro-N-[1-(furan-2-yl)ethyl]-4-nitrobenzamide.
What is the SMILES notation for 2,5-difluoro-N-[1-(furan-2-yl)ethyl]-4-nitrobenzamide?
The canonical SMILES for 2,5-difluoro-N-[1-(furan-2-yl)ethyl]-4-nitrobenzamide is CC(NC(=O)c1cc(F)c([N+](=O)[O-])cc1F)c1ccco1.
What is the InChIKey of 2,5-difluoro-N-[1-(furan-2-yl)ethyl]-4-nitrobenzamide?
The InChIKey is ZLSFSXPCLFKDQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2N2O4/c1-7(12-3-2-4-21-12)16-13(18)8-5-10(15)11(17(19)20)6-9(8)14/h2-7H,1H3,(H,16,18).
What are the key properties of 2,5-difluoro-N-[1-(furan-2-yl)ethyl]-4-nitrobenzamide?
2,5-difluoro-N-[1-(furan-2-yl)ethyl]-4-nitrobenzamide has a molecular weight of 296.23 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-[1-(furan-2-yl)ethyl]-4-nitrobenzamide is sourced from PubChem (CID 115766373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).