4-fluoro-N'-[2-(3-nitrophenoxy)acetyl]benzohydrazide

C15H12FN3O5 — CID 86977027

IUPAC4-fluoro-N'-[2-(3-nitrophenoxy)acetyl]benzohydrazide
SMILESO=C(COc1cccc([N+](=O)[O-])c1)NNC(=O)c1ccc(F)cc1
InChIInChI=1S/C15H12FN3O5/c16-11-6-4-10(5-7-11)15(21)18-17-14(20)9-24-13-3-1-2-12(8-13)19(22)23/h1-8H,9H2,(H,17,20)(H,18,21)
InChIKeyQBEUMRCMFUUJTC-UHFFFAOYSA-N
MW333.28 g/mol
LogP1.57
Rot. Bonds5

About 4-fluoro-N'-[2-(3-nitrophenoxy)acetyl]benzohydrazide

4-fluoro-N'-[2-(3-nitrophenoxy)acetyl]benzohydrazide (PubChem CID 86977027) has the molecular formula C15H12FN3O5 and a molecular weight of 333.28 g/mol. Its IUPAC name is 4-fluoro-N'-[2-(3-nitrophenoxy)acetyl]benzohydrazide.

Molecular Properties

Compound Name4-fluoro-N'-[2-(3-nitrophenoxy)acetyl]benzohydrazide
PubChem CID86977027
Molecular FormulaC15H12FN3O5
Molecular Weight333.28 g/mol
Exact Mass333.08
IUPAC Name4-fluoro-N'-[2-(3-nitrophenoxy)acetyl]benzohydrazide
SMILESO=C(COc1cccc([N+](=O)[O-])c1)NNC(=O)c1ccc(F)cc1
InChIInChI=1S/C15H12FN3O5/c16-11-6-4-10(5-7-11)15(21)18-17-14(20)9-24-13-3-1-2-12(8-13)19(22)23/h1-8H,9H2,(H,17,20)(H,18,21)
InChIKeyQBEUMRCMFUUJTC-UHFFFAOYSA-N
XLogP1.57
TPSA110.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.28
LogP ≤ 51.57
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

4-ethoxy-N'-[2-(3-nitrophenoxy)acetyl]benzohydrazide
CID 46575952
N'-[2-(3-chlorophenoxy)acetyl]-4-fluorobenzohydrazide
CID 9340581
N'-[2-(2-fluorophenoxy)acetyl]-3-nitrobenzohydrazide
CID 7434007
4-fluoro-N'-[2-(2-nitrophenoxy)acetyl]benzohydrazide
CID 7946066
4-fluoro-N'-[1-(3-nitrophenyl)ethenyl]benzohydrazide
CID 5087058
N'-[2-(3,4-dimethylphenoxy)acetyl]-4-nitrobenzohydrazide
CID 3154306
(3-nitrophenyl) 4-fluorobenzoate
CID 4812720
1-(2,6-difluorophenyl)-2-(3-nitrophenoxy)ethanone
CID 60662380
N'-[2-(4-nitrophenoxy)acetyl]-3-(2-phenylethoxy)benzohydrazide
CID 17134509
N-cyclopropyl-2-(3-nitrophenoxy)acetamide
CID 7865440
N-[2-[2-(4-fluorobenzoyl)hydrazinyl]-2-oxoethyl]-2-phenoxyacetamide
CID 7779544
3-methyl-N'-[2-(3-methylphenoxy)acetyl]-4-nitrobenzohydrazide
CID 7943194

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N'-[2-(3-nitrophenoxy)acetyl]benzohydrazide?
The IUPAC name of 4-fluoro-N'-[2-(3-nitrophenoxy)acetyl]benzohydrazide (CID 86977027) is 4-fluoro-N'-[2-(3-nitrophenoxy)acetyl]benzohydrazide.
What is the SMILES notation for 4-fluoro-N'-[2-(3-nitrophenoxy)acetyl]benzohydrazide?
The canonical SMILES for 4-fluoro-N'-[2-(3-nitrophenoxy)acetyl]benzohydrazide is O=C(COc1cccc([N+](=O)[O-])c1)NNC(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N'-[2-(3-nitrophenoxy)acetyl]benzohydrazide?
The InChIKey is QBEUMRCMFUUJTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O5/c16-11-6-4-10(5-7-11)15(21)18-17-14(20)9-24-13-3-1-2-12(8-13)19(22)23/h1-8H,9H2,(H,17,20)(H,18,21).
What are the key properties of 4-fluoro-N'-[2-(3-nitrophenoxy)acetyl]benzohydrazide?
4-fluoro-N'-[2-(3-nitrophenoxy)acetyl]benzohydrazide has a molecular weight of 333.28 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N'-[2-(3-nitrophenoxy)acetyl]benzohydrazide is sourced from PubChem (CID 86977027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).