N'-(2-fluorobenzoyl)-5-nitrofuran-2-carbohydrazide

C12H8FN3O5 — CID 102603103

IUPACN'-(2-fluorobenzoyl)-5-nitrofuran-2-carbohydrazide
SMILESO=C(NNC(=O)c1ccccc1F)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C12H8FN3O5/c13-8-4-2-1-3-7(8)11(17)14-15-12(18)9-5-6-10(21-9)16(19)20/h1-6H,(H,14,17)(H,15,18)
InChIKeyFRRXHMLTNAQMGS-UHFFFAOYSA-N
MW293.21 g/mol
LogP1.40
Rot. Bonds3

About N'-(2-fluorobenzoyl)-5-nitrofuran-2-carbohydrazide

N'-(2-fluorobenzoyl)-5-nitrofuran-2-carbohydrazide (PubChem CID 102603103) has the molecular formula C12H8FN3O5 and a molecular weight of 293.21 g/mol. Its IUPAC name is N'-(2-fluorobenzoyl)-5-nitrofuran-2-carbohydrazide.

Molecular Properties

Compound NameN'-(2-fluorobenzoyl)-5-nitrofuran-2-carbohydrazide
PubChem CID102603103
Molecular FormulaC12H8FN3O5
Molecular Weight293.21 g/mol
Exact Mass293.04
IUPAC NameN'-(2-fluorobenzoyl)-5-nitrofuran-2-carbohydrazide
SMILESO=C(NNC(=O)c1ccccc1F)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C12H8FN3O5/c13-8-4-2-1-3-7(8)11(17)14-15-12(18)9-5-6-10(21-9)16(19)20/h1-6H,(H,14,17)(H,15,18)
InChIKeyFRRXHMLTNAQMGS-UHFFFAOYSA-N
XLogP1.40
TPSA114.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.21
LogP ≤ 51.40
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'}

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Related Compounds

5-nitro-N'-phenylfuran-2-carbohydrazide
CID 5462738
N'-methyl-5-nitrofuran-2-carbohydrazide
CID 3299962
N-(2-acetylphenyl)-5-nitrofuran-2-carboxamide
CID 17146683
1-amino-3-[(5-nitrofuran-2-carbonyl)amino]urea
CID 134117137
N'-(2-fluorobenzoyl)-5-(4-fluorophenyl)furan-2-carbohydrazide
CID 9084734
methyl 2-[(5-nitrofuran-2-carbonyl)amino]benzoate
CID 770812
N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-5-nitrofuran-2-carboxamide
CID 51196836
N'-(2-fluorobenzoyl)-5-(phenoxymethyl)furan-2-carbohydrazide
CID 4795196
5-nitro-N-[2-(2-phenylethylcarbamoyl)phenyl]furan-2-carboxamide
CID 51148461
ethane;5-nitro-N-phenylfuran-2-carboxamide
CID 145187045
5-bromo-N'-(2-nitrobenzoyl)furan-2-carbohydrazide
CID 5121277
N-(3,4-difluorophenyl)-5-nitrofuran-2-carboxamide
CID 5153997

Frequently Asked Questions

What is the IUPAC name of N'-(2-fluorobenzoyl)-5-nitrofuran-2-carbohydrazide?
The IUPAC name of N'-(2-fluorobenzoyl)-5-nitrofuran-2-carbohydrazide (CID 102603103) is N'-(2-fluorobenzoyl)-5-nitrofuran-2-carbohydrazide.
What is the SMILES notation for N'-(2-fluorobenzoyl)-5-nitrofuran-2-carbohydrazide?
The canonical SMILES for N'-(2-fluorobenzoyl)-5-nitrofuran-2-carbohydrazide is O=C(NNC(=O)c1ccccc1F)c1ccc([N+](=O)[O-])o1.
What is the InChIKey of N'-(2-fluorobenzoyl)-5-nitrofuran-2-carbohydrazide?
The InChIKey is FRRXHMLTNAQMGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FN3O5/c13-8-4-2-1-3-7(8)11(17)14-15-12(18)9-5-6-10(21-9)16(19)20/h1-6H,(H,14,17)(H,15,18).
What are the key properties of N'-(2-fluorobenzoyl)-5-nitrofuran-2-carbohydrazide?
N'-(2-fluorobenzoyl)-5-nitrofuran-2-carbohydrazide has a molecular weight of 293.21 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-fluorobenzoyl)-5-nitrofuran-2-carbohydrazide is sourced from PubChem (CID 102603103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).