N'-(4-fluoro-3-nitrobenzoyl)furan-2-carbohydrazide

C12H8FN3O5 — CID 135347144

IUPACN'-(4-fluoro-3-nitrobenzoyl)furan-2-carbohydrazide
SMILESO=C(NNC(=O)c1ccco1)c1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C12H8FN3O5/c13-8-4-3-7(6-9(8)16(19)20)11(17)14-15-12(18)10-2-1-5-21-10/h1-6H,(H,14,17)(H,15,18)
InChIKeyILRSUKFCKXUBJV-UHFFFAOYSA-N
MW293.21 g/mol
LogP1.40
Rot. Bonds3

About N'-(4-fluoro-3-nitrobenzoyl)furan-2-carbohydrazide

N'-(4-fluoro-3-nitrobenzoyl)furan-2-carbohydrazide (PubChem CID 135347144) has the molecular formula C12H8FN3O5 and a molecular weight of 293.21 g/mol. Its IUPAC name is N'-(4-fluoro-3-nitrobenzoyl)furan-2-carbohydrazide.

Molecular Properties

Compound NameN'-(4-fluoro-3-nitrobenzoyl)furan-2-carbohydrazide
PubChem CID135347144
Molecular FormulaC12H8FN3O5
Molecular Weight293.21 g/mol
Exact Mass293.04
IUPAC NameN'-(4-fluoro-3-nitrobenzoyl)furan-2-carbohydrazide
SMILESO=C(NNC(=O)c1ccco1)c1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C12H8FN3O5/c13-8-4-3-7(6-9(8)16(19)20)11(17)14-15-12(18)10-2-1-5-21-10/h1-6H,(H,14,17)(H,15,18)
InChIKeyILRSUKFCKXUBJV-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

N'-(4-hydroxy-3-nitrobenzoyl)furan-2-carbohydrazide;hydrochloride
CID 175272274
N'-(3-nitrobenzoyl)furan-2-carbohydrazide
CID 3127339
N'-[4-(4-chloro-2-nitrophenoxy)benzoyl]furan-2-carbohydrazide
CID 9476412
4-fluoro-3-nitro-N-sulfanylbenzamide
CID 142948721
N'-(3,5-difluorobenzoyl)furan-2-carbohydrazide
CID 6711004
N-(2,5-dimethylpyrrol-1-yl)-4-fluoro-3-nitrobenzamide
CID 79101237
4-fluoro-3-nitro-N-pyrrol-1-ylbenzamide
CID 79100073
4-fluoro-N-methylsulfonyl-3-nitrobenzamide
CID 153492334
N'-[4-(trifluoromethyl)benzoyl]furan-2-carbohydrazide
CID 4826998
N'-(4-bromobenzoyl)furan-2-carbohydrazide
CID 687073
[2-(4-fluoro-3-nitroanilino)-2-oxoethyl] furan-2-carboxylate
CID 2715186
4-fluoro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-nitrobenzamide
CID 106180498

Frequently Asked Questions

What is the IUPAC name of N'-(4-fluoro-3-nitrobenzoyl)furan-2-carbohydrazide?
The IUPAC name of N'-(4-fluoro-3-nitrobenzoyl)furan-2-carbohydrazide (CID 135347144) is N'-(4-fluoro-3-nitrobenzoyl)furan-2-carbohydrazide.
What is the SMILES notation for N'-(4-fluoro-3-nitrobenzoyl)furan-2-carbohydrazide?
The canonical SMILES for N'-(4-fluoro-3-nitrobenzoyl)furan-2-carbohydrazide is O=C(NNC(=O)c1ccco1)c1ccc(F)c([N+](=O)[O-])c1.
What is the InChIKey of N'-(4-fluoro-3-nitrobenzoyl)furan-2-carbohydrazide?
The InChIKey is ILRSUKFCKXUBJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FN3O5/c13-8-4-3-7(6-9(8)16(19)20)11(17)14-15-12(18)10-2-1-5-21-10/h1-6H,(H,14,17)(H,15,18).
What are the key properties of N'-(4-fluoro-3-nitrobenzoyl)furan-2-carbohydrazide?
N'-(4-fluoro-3-nitrobenzoyl)furan-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'-(4-fluoro-3-nitrobenzoyl)furan-2-carbohydrazide is sourced from PubChem (CID 135347144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).