2-nitro-4-[3-(trifluoromethyl)phenoxy]benzohydrazide

C14H10F3N3O4 — CID 166073971

IUPAC2-nitro-4-[3-(trifluoromethyl)phenoxy]benzohydrazide
SMILESNNC(=O)c1ccc(Oc2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-]
InChIInChI=1S/C14H10F3N3O4/c15-14(16,17)8-2-1-3-9(6-8)24-10-4-5-11(13(21)19-18)12(7-10)20(22)23/h1-7H,18H2,(H,19,21)
InChIKeyDAINFWGUVAJVST-UHFFFAOYSA-N
MW341.25 g/mol
LogP3.01
Rot. Bonds4

About 2-nitro-4-[3-(trifluoromethyl)phenoxy]benzohydrazide

2-nitro-4-[3-(trifluoromethyl)phenoxy]benzohydrazide (PubChem CID 166073971) has the molecular formula C14H10F3N3O4 and a molecular weight of 341.25 g/mol. Its IUPAC name is 2-nitro-4-[3-(trifluoromethyl)phenoxy]benzohydrazide.

Molecular Properties

Compound Name2-nitro-4-[3-(trifluoromethyl)phenoxy]benzohydrazide
PubChem CID166073971
Molecular FormulaC14H10F3N3O4
Molecular Weight341.25 g/mol
Exact Mass341.06
IUPAC Name2-nitro-4-[3-(trifluoromethyl)phenoxy]benzohydrazide
SMILESNNC(=O)c1ccc(Oc2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-]
InChIInChI=1S/C14H10F3N3O4/c15-14(16,17)8-2-1-3-9(6-8)24-10-4-5-11(13(21)19-18)12(7-10)20(22)23/h1-7H,18H2,(H,19,21)
InChIKeyDAINFWGUVAJVST-UHFFFAOYSA-N
XLogP3.01
TPSA107.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'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

3-[3-(trifluoromethyl)phenoxy]benzohydrazide
CID 69484751
4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoyl chloride
CID 19828951
N-methyl-2-nitro-4-(trifluoromethyl)benzamide
CID 134085755
ethyl 4-[3-(trifluoromethyl)phenoxy]benzoate
CID 4268945
4-chloro-2-nitro-N-[3-(trifluoromethyl)phenyl]benzamide
CID 1105898
N-[4-[3-[4-[(2,4-dinitrobenzoyl)amino]phenoxy]phenoxy]phenyl]-2,4-dinitrobenzamide
CID 3095747
N-[4-methoxy-2-nitro-5-[3-(trifluoromethyl)phenoxy]phenyl]acetamide
CID 541150
3-[[2-nitro-4-(trifluoromethyl)benzoyl]amino]propanoic acid
CID 119176933
N-[(2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl]-2-nitro-4-(trifluoromethyl)benzamide
CID 95932170
CID 175469139
CID 175469139
1-chloro-3-[3-nitro-5-[3-(trifluoromethyl)phenoxy]anilino]propan-2-ol
CID 168639544
2-nitro-4-(trifluoromethyl)benzoic acid
CID 642096

Frequently Asked Questions

What is the IUPAC name of 2-nitro-4-[3-(trifluoromethyl)phenoxy]benzohydrazide?
The IUPAC name of 2-nitro-4-[3-(trifluoromethyl)phenoxy]benzohydrazide (CID 166073971) is 2-nitro-4-[3-(trifluoromethyl)phenoxy]benzohydrazide.
What is the SMILES notation for 2-nitro-4-[3-(trifluoromethyl)phenoxy]benzohydrazide?
The canonical SMILES for 2-nitro-4-[3-(trifluoromethyl)phenoxy]benzohydrazide is NNC(=O)c1ccc(Oc2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-].
What is the InChIKey of 2-nitro-4-[3-(trifluoromethyl)phenoxy]benzohydrazide?
The InChIKey is DAINFWGUVAJVST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N3O4/c15-14(16,17)8-2-1-3-9(6-8)24-10-4-5-11(13(21)19-18)12(7-10)20(22)23/h1-7H,18H2,(H,19,21).
What are the key properties of 2-nitro-4-[3-(trifluoromethyl)phenoxy]benzohydrazide?
2-nitro-4-[3-(trifluoromethyl)phenoxy]benzohydrazide has a molecular weight of 341.25 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-4-[3-(trifluoromethyl)phenoxy]benzohydrazide is sourced from PubChem (CID 166073971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).