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

C15H12FN3O5 — CID 7946066

IUPAC4-fluoro-N'-[2-(2-nitrophenoxy)acetyl]benzohydrazide
SMILESO=C(COc1ccccc1[N+](=O)[O-])NNC(=O)c1ccc(F)cc1
InChIInChI=1S/C15H12FN3O5/c16-11-7-5-10(6-8-11)15(21)18-17-14(20)9-24-13-4-2-1-3-12(13)19(22)23/h1-8H,9H2,(H,17,20)(H,18,21)
InChIKeyWAEFFDFYZVGTAT-UHFFFAOYSA-N
MW333.28 g/mol
LogP1.57
Rot. Bonds5

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

4-fluoro-N'-[2-(2-nitrophenoxy)acetyl]benzohydrazide (PubChem CID 7946066) has the molecular formula C15H12FN3O5 and a molecular weight of 333.28 g/mol. Its IUPAC name is 4-fluoro-N'-[2-(2-nitrophenoxy)acetyl]benzohydrazide.

Molecular Properties

Compound Name4-fluoro-N'-[2-(2-nitrophenoxy)acetyl]benzohydrazide
PubChem CID7946066
Molecular FormulaC15H12FN3O5
Molecular Weight333.28 g/mol
Exact Mass333.08
IUPAC Name4-fluoro-N'-[2-(2-nitrophenoxy)acetyl]benzohydrazide
SMILESO=C(COc1ccccc1[N+](=O)[O-])NNC(=O)c1ccc(F)cc1
InChIInChI=1S/C15H12FN3O5/c16-11-7-5-10(6-8-11)15(21)18-17-14(20)9-24-13-4-2-1-3-12(13)19(22)23/h1-8H,9H2,(H,17,20)(H,18,21)
InChIKeyWAEFFDFYZVGTAT-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-methylsulfonyl-N'-[2-(2-nitrophenoxy)acetyl]benzohydrazide
CID 26887625
3,4-dimethoxy-N'-[2-(2-nitrophenoxy)acetyl]benzohydrazide
CID 4931330
N-[4-[[[2-(2-nitrophenoxy)acetyl]amino]carbamoyl]phenyl]cyclohexanecarboxamide
CID 4931286
4-bromo-2-fluoro-N'-[2-(2-nitrophenoxy)acetyl]benzohydrazide
CID 26920313
2,4-dimethyl-N'-[2-(2-nitrophenoxy)acetyl]benzohydrazide
CID 26247019
N-(3,5-difluorophenyl)-2-(2-nitrophenoxy)acetamide
CID 41161775
4-fluoro-N'-[2-(3-nitrophenoxy)acetyl]benzohydrazide
CID 86977027
4-fluoro-N'-[2-(2,4,5-trichlorophenoxy)acetyl]benzohydrazide
CID 7946113
3-ethoxy-N'-[2-(2-nitrophenoxy)acetyl]propanehydrazide
CID 17357929
N-ethyl-2-(2-nitrophenoxy)acetamide
CID 2500383
[2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 2-(2-fluorophenoxy)acetate
CID 7842173
2-(2-nitrophenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 2500342

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N'-[2-(2-nitrophenoxy)acetyl]benzohydrazide?
The IUPAC name of 4-fluoro-N'-[2-(2-nitrophenoxy)acetyl]benzohydrazide (CID 7946066) is 4-fluoro-N'-[2-(2-nitrophenoxy)acetyl]benzohydrazide.
What is the SMILES notation for 4-fluoro-N'-[2-(2-nitrophenoxy)acetyl]benzohydrazide?
The canonical SMILES for 4-fluoro-N'-[2-(2-nitrophenoxy)acetyl]benzohydrazide is O=C(COc1ccccc1[N+](=O)[O-])NNC(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N'-[2-(2-nitrophenoxy)acetyl]benzohydrazide?
The InChIKey is WAEFFDFYZVGTAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O5/c16-11-7-5-10(6-8-11)15(21)18-17-14(20)9-24-13-4-2-1-3-12(13)19(22)23/h1-8H,9H2,(H,17,20)(H,18,21).
What are the key properties of 4-fluoro-N'-[2-(2-nitrophenoxy)acetyl]benzohydrazide?
4-fluoro-N'-[2-(2-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-(2-nitrophenoxy)acetyl]benzohydrazide is sourced from PubChem (CID 7946066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).