4-fluoro-N-(furan-2-ylmethyl)-5-hydrazinyl-2-nitrobenzamide

C12H11FN4O4 — CID 62236849

IUPAC4-fluoro-N-(furan-2-ylmethyl)-5-hydrazinyl-2-nitrobenzamide
SMILESNNc1cc(C(=O)NCc2ccco2)c([N+](=O)[O-])cc1F
InChIInChI=1S/C12H11FN4O4/c13-9-5-11(17(19)20)8(4-10(9)16-14)12(18)15-6-7-2-1-3-21-7/h1-5,16H,6,14H2,(H,15,18)
InChIKeyOUOLXTVLDMXEBE-UHFFFAOYSA-N
MW294.24 g/mol
LogP1.54
Rot. Bonds5

About 4-fluoro-N-(furan-2-ylmethyl)-5-hydrazinyl-2-nitrobenzamide

4-fluoro-N-(furan-2-ylmethyl)-5-hydrazinyl-2-nitrobenzamide (PubChem CID 62236849) has the molecular formula C12H11FN4O4 and a molecular weight of 294.24 g/mol. Its IUPAC name is 4-fluoro-N-(furan-2-ylmethyl)-5-hydrazinyl-2-nitrobenzamide.

Molecular Properties

Compound Name4-fluoro-N-(furan-2-ylmethyl)-5-hydrazinyl-2-nitrobenzamide
PubChem CID62236849
Molecular FormulaC12H11FN4O4
Molecular Weight294.24 g/mol
Exact Mass294.08
IUPAC Name4-fluoro-N-(furan-2-ylmethyl)-5-hydrazinyl-2-nitrobenzamide
SMILESNNc1cc(C(=O)NCc2ccco2)c([N+](=O)[O-])cc1F
InChIInChI=1S/C12H11FN4O4/c13-9-5-11(17(19)20)8(4-10(9)16-14)12(18)15-6-7-2-1-3-21-7/h1-5,16H,6,14H2,(H,15,18)
InChIKeyOUOLXTVLDMXEBE-UHFFFAOYSA-N
XLogP1.54
TPSA123.43 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.24
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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-(4-amino-4-oxobutyl)-4-fluoro-5-hydrazinyl-2-nitrobenzamide
CID 62236532
4-fluoro-5-hydrazinyl-N-[2-(methylamino)-2-oxoethyl]-2-nitrobenzamide
CID 62242120
4-fluoro-5-hydrazinyl-N-(1H-imidazol-2-ylmethyl)-2-nitrobenzamide
CID 64523214
N-[2-(ethylamino)-2-oxoethyl]-4-fluoro-5-hydrazinyl-2-nitrobenzamide
CID 62241216
N-(cyclopentylmethyl)-4-fluoro-5-hydrazinyl-2-nitrobenzamide
CID 62243387
4-anilino-N-(furan-2-ylmethyl)-3-nitrobenzamide
CID 27649998
4-fluoro-5-hydrazinyl-2-nitro-N-pyridin-4-ylbenzamide
CID 62242174
2-chloro-N-(furan-2-ylmethyl)-4-nitrobenzamide
CID 773667
N-butan-2-yl-4-fluoro-5-hydrazinyl-2-nitrobenzamide
CID 62236101
N-(3-amino-3-oxopropyl)-4-fluoro-5-(methylamino)-2-nitrobenzamide
CID 62168697
2-(4-fluoro-5-methoxy-2-nitroanilino)-N-(furan-2-ylmethyl)acetamide
CID 75379407
4-fluoro-N-(furan-2-ylmethyl)-2-nitroaniline
CID 43218082

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(furan-2-ylmethyl)-5-hydrazinyl-2-nitrobenzamide?
The IUPAC name of 4-fluoro-N-(furan-2-ylmethyl)-5-hydrazinyl-2-nitrobenzamide (CID 62236849) is 4-fluoro-N-(furan-2-ylmethyl)-5-hydrazinyl-2-nitrobenzamide.
What is the SMILES notation for 4-fluoro-N-(furan-2-ylmethyl)-5-hydrazinyl-2-nitrobenzamide?
The canonical SMILES for 4-fluoro-N-(furan-2-ylmethyl)-5-hydrazinyl-2-nitrobenzamide is NNc1cc(C(=O)NCc2ccco2)c([N+](=O)[O-])cc1F.
What is the InChIKey of 4-fluoro-N-(furan-2-ylmethyl)-5-hydrazinyl-2-nitrobenzamide?
The InChIKey is OUOLXTVLDMXEBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN4O4/c13-9-5-11(17(19)20)8(4-10(9)16-14)12(18)15-6-7-2-1-3-21-7/h1-5,16H,6,14H2,(H,15,18).
What are the key properties of 4-fluoro-N-(furan-2-ylmethyl)-5-hydrazinyl-2-nitrobenzamide?
4-fluoro-N-(furan-2-ylmethyl)-5-hydrazinyl-2-nitrobenzamide has a molecular weight of 294.24 g/mol, XLogP of 1.54, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(furan-2-ylmethyl)-5-hydrazinyl-2-nitrobenzamide is sourced from PubChem (CID 62236849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).