N-(5-amino-2-fluorophenyl)-5-nitrofuran-2-carboxamide

C11H8FN3O4 — CID 43600127

IUPACN-(5-amino-2-fluorophenyl)-5-nitrofuran-2-carboxamide
SMILESNc1ccc(F)c(NC(=O)c2ccc([N+](=O)[O-])o2)c1
InChIInChI=1S/C11H8FN3O4/c12-7-2-1-6(13)5-8(7)14-11(16)9-3-4-10(19-9)15(17)18/h1-5H,13H2,(H,14,16)
InChIKeyIZDIQQRICCBENS-UHFFFAOYSA-N
MW265.20 g/mol
LogP2.16
Rot. Bonds3

About N-(5-amino-2-fluorophenyl)-5-nitrofuran-2-carboxamide

N-(5-amino-2-fluorophenyl)-5-nitrofuran-2-carboxamide (PubChem CID 43600127) has the molecular formula C11H8FN3O4 and a molecular weight of 265.20 g/mol. Its IUPAC name is N-(5-amino-2-fluorophenyl)-5-nitrofuran-2-carboxamide.

Molecular Properties

Compound NameN-(5-amino-2-fluorophenyl)-5-nitrofuran-2-carboxamide
PubChem CID43600127
Molecular FormulaC11H8FN3O4
Molecular Weight265.20 g/mol
Exact Mass265.05
IUPAC NameN-(5-amino-2-fluorophenyl)-5-nitrofuran-2-carboxamide
SMILESNc1ccc(F)c(NC(=O)c2ccc([N+](=O)[O-])o2)c1
InChIInChI=1S/C11H8FN3O4/c12-7-2-1-6(13)5-8(7)14-11(16)9-3-4-10(19-9)15(17)18/h1-5H,13H2,(H,14,16)
InChIKeyIZDIQQRICCBENS-UHFFFAOYSA-N
XLogP2.16
TPSA111.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.20
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3,4-difluorophenyl)-5-nitrofuran-2-carboxamide
CID 5153997
N-(4-chloro-2-iodophenyl)-5-nitrofuran-2-carboxamide
CID 113257818
N-(2-bromo-4-chlorophenyl)-5-nitrofuran-2-carboxamide
CID 81028624
N-(5-amino-2-fluorophenyl)-4-fluoro-2-nitrobenzamide
CID 115736636
N-(6-amino-1,3-benzothiazol-2-yl)-5-nitrofuran-2-carboxamide;hydrochloride
CID 156613225
[2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 5-nitrofuran-2-carboxylate
CID 9454791
N-(2-iodophenyl)-5-nitrofuran-2-carboxamide
CID 3269060
N-(3,5-dimethylphenyl)-5-nitrofuran-2-carboxamide
CID 757048
5-nitro-N-(2-sulfamoylphenyl)furan-2-carboxamide
CID 61128250
N-(5-amino-2-fluorophenyl)-3-methyl-4-nitrobenzamide
CID 43600154
5-amino-N-(2,5-difluorophenyl)furan-2-carboxamide
CID 82344363
N-(5-amino-2-fluorophenyl)-2-[2-[(2-fluoro-5-nitrophenyl)carbamoyl]phenyl]benzamide
CID 67556047

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-fluorophenyl)-5-nitrofuran-2-carboxamide?
The IUPAC name of N-(5-amino-2-fluorophenyl)-5-nitrofuran-2-carboxamide (CID 43600127) is N-(5-amino-2-fluorophenyl)-5-nitrofuran-2-carboxamide.
What is the SMILES notation for N-(5-amino-2-fluorophenyl)-5-nitrofuran-2-carboxamide?
The canonical SMILES for N-(5-amino-2-fluorophenyl)-5-nitrofuran-2-carboxamide is Nc1ccc(F)c(NC(=O)c2ccc([N+](=O)[O-])o2)c1.
What is the InChIKey of N-(5-amino-2-fluorophenyl)-5-nitrofuran-2-carboxamide?
The InChIKey is IZDIQQRICCBENS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FN3O4/c12-7-2-1-6(13)5-8(7)14-11(16)9-3-4-10(19-9)15(17)18/h1-5H,13H2,(H,14,16).
What are the key properties of N-(5-amino-2-fluorophenyl)-5-nitrofuran-2-carboxamide?
N-(5-amino-2-fluorophenyl)-5-nitrofuran-2-carboxamide has a molecular weight of 265.20 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-fluorophenyl)-5-nitrofuran-2-carboxamide is sourced from PubChem (CID 43600127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).