4-ethoxy-3-nitro-N'-(2,3,4,5,6-pentafluorophenyl)benzohydrazide

C15H10F5N3O4 — CID 9393143

IUPAC4-ethoxy-3-nitro-N'-(2,3,4,5,6-pentafluorophenyl)benzohydrazide
SMILESCCOc1ccc(C(=O)NNc2c(F)c(F)c(F)c(F)c2F)cc1[N+](=O)[O-]
InChIInChI=1S/C15H10F5N3O4/c1-2-27-8-4-3-6(5-7(8)23(25)26)15(24)22-21-14-12(19)10(17)9(16)11(18)13(14)20/h3-5,21H,2H2,1H3,(H,22,24)
InChIKeyOVLIEQFXSZOIHE-UHFFFAOYSA-N
MW391.25 g/mol
LogP3.45
Rot. Bonds6

About 4-ethoxy-3-nitro-N'-(2,3,4,5,6-pentafluorophenyl)benzohydrazide

4-ethoxy-3-nitro-N'-(2,3,4,5,6-pentafluorophenyl)benzohydrazide (PubChem CID 9393143) has the molecular formula C15H10F5N3O4 and a molecular weight of 391.25 g/mol. Its IUPAC name is 4-ethoxy-3-nitro-N'-(2,3,4,5,6-pentafluorophenyl)benzohydrazide.

Molecular Properties

Compound Name4-ethoxy-3-nitro-N'-(2,3,4,5,6-pentafluorophenyl)benzohydrazide
PubChem CID9393143
Molecular FormulaC15H10F5N3O4
Molecular Weight391.25 g/mol
Exact Mass391.06
IUPAC Name4-ethoxy-3-nitro-N'-(2,3,4,5,6-pentafluorophenyl)benzohydrazide
SMILESCCOc1ccc(C(=O)NNc2c(F)c(F)c(F)c(F)c2F)cc1[N+](=O)[O-]
InChIInChI=1S/C15H10F5N3O4/c1-2-27-8-4-3-6(5-7(8)23(25)26)15(24)22-21-14-12(19)10(17)9(16)11(18)13(14)20/h3-5,21H,2H2,1H3,(H,22,24)
InChIKeyOVLIEQFXSZOIHE-UHFFFAOYSA-N
XLogP3.45
TPSA93.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.25
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', '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'-benzoyl-4-ethoxy-3-nitrobenzohydrazide
CID 9391903
N-(3,4-difluorophenyl)-4-ethoxy-3-nitrobenzamide
CID 9392336
4-ethoxy-N'-[(2S)-2-(2-fluorophenoxy)propanoyl]-3-nitrobenzohydrazide
CID 9393219
4-ethoxy-N'-(3-methoxy-4-propan-2-yloxybenzoyl)-3-nitrobenzohydrazide
CID 9392138
4-ethoxy-N-(3-methoxypropyl)-3-nitrobenzamide
CID 39752649
4-ethoxy-N-[2-(methylamino)propyl]-3-nitrobenzamide;hydrochloride
CID 120827071
N-(3,4-diethoxyphenyl)-4-methoxy-3-nitrobenzamide
CID 1265698
4-ethoxy-N-(6-methylpyridin-1-ium-2-yl)-3-nitrobenzamide
CID 5171483
4-ethoxy-N-[1-(4-methylphenyl)propyl]-3-nitrobenzamide
CID 84999684
methyl 5-(4-ethoxy-3-nitrophenyl)-5-oxopentanoate
CID 82347085
N-(2-ethoxyphenyl)-4-methoxy-3-nitrobenzamide
CID 711588
4-ethoxy-3-methoxy-N'-(2-nitrobenzoyl)benzohydrazide
CID 25441159

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-3-nitro-N'-(2,3,4,5,6-pentafluorophenyl)benzohydrazide?
The IUPAC name of 4-ethoxy-3-nitro-N'-(2,3,4,5,6-pentafluorophenyl)benzohydrazide (CID 9393143) is 4-ethoxy-3-nitro-N'-(2,3,4,5,6-pentafluorophenyl)benzohydrazide.
What is the SMILES notation for 4-ethoxy-3-nitro-N'-(2,3,4,5,6-pentafluorophenyl)benzohydrazide?
The canonical SMILES for 4-ethoxy-3-nitro-N'-(2,3,4,5,6-pentafluorophenyl)benzohydrazide is CCOc1ccc(C(=O)NNc2c(F)c(F)c(F)c(F)c2F)cc1[N+](=O)[O-].
What is the InChIKey of 4-ethoxy-3-nitro-N'-(2,3,4,5,6-pentafluorophenyl)benzohydrazide?
The InChIKey is OVLIEQFXSZOIHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F5N3O4/c1-2-27-8-4-3-6(5-7(8)23(25)26)15(24)22-21-14-12(19)10(17)9(16)11(18)13(14)20/h3-5,21H,2H2,1H3,(H,22,24).
What are the key properties of 4-ethoxy-3-nitro-N'-(2,3,4,5,6-pentafluorophenyl)benzohydrazide?
4-ethoxy-3-nitro-N'-(2,3,4,5,6-pentafluorophenyl)benzohydrazide has a molecular weight of 391.25 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-3-nitro-N'-(2,3,4,5,6-pentafluorophenyl)benzohydrazide is sourced from PubChem (CID 9393143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).