N'-[2-nitro-4-(trifluoromethyl)phenyl]benzohydrazide

C14H10F3N3O3 — CID 3098811

IUPACN'-[2-nitro-4-(trifluoromethyl)phenyl]benzohydrazide
SMILESO=C(NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1
InChIInChI=1S/C14H10F3N3O3/c15-14(16,17)10-6-7-11(12(8-10)20(22)23)18-19-13(21)9-4-2-1-3-5-9/h1-8,18H,(H,19,21)
InChIKeyVMQXDTFJIRHUNK-UHFFFAOYSA-N
MW325.25 g/mol
LogP3.37
Rot. Bonds4

About N'-[2-nitro-4-(trifluoromethyl)phenyl]benzohydrazide

N'-[2-nitro-4-(trifluoromethyl)phenyl]benzohydrazide (PubChem CID 3098811) has the molecular formula C14H10F3N3O3 and a molecular weight of 325.25 g/mol. Its IUPAC name is N'-[2-nitro-4-(trifluoromethyl)phenyl]benzohydrazide.

Molecular Properties

Compound NameN'-[2-nitro-4-(trifluoromethyl)phenyl]benzohydrazide
PubChem CID3098811
Molecular FormulaC14H10F3N3O3
Molecular Weight325.25 g/mol
Exact Mass325.07
IUPAC NameN'-[2-nitro-4-(trifluoromethyl)phenyl]benzohydrazide
SMILESO=C(NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1
InChIInChI=1S/C14H10F3N3O3/c15-14(16,17)10-6-7-11(12(8-10)20(22)23)18-19-13(21)9-4-2-1-3-5-9/h1-8,18H,(H,19,21)
InChIKeyVMQXDTFJIRHUNK-UHFFFAOYSA-N
XLogP3.37
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of N'-[2-nitro-4-(trifluoromethyl)phenyl]benzohydrazide?
The IUPAC name of N'-[2-nitro-4-(trifluoromethyl)phenyl]benzohydrazide (CID 3098811) is N'-[2-nitro-4-(trifluoromethyl)phenyl]benzohydrazide.
What is the SMILES notation for N'-[2-nitro-4-(trifluoromethyl)phenyl]benzohydrazide?
The canonical SMILES for N'-[2-nitro-4-(trifluoromethyl)phenyl]benzohydrazide is O=C(NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1.
What is the InChIKey of N'-[2-nitro-4-(trifluoromethyl)phenyl]benzohydrazide?
The InChIKey is VMQXDTFJIRHUNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N3O3/c15-14(16,17)10-6-7-11(12(8-10)20(22)23)18-19-13(21)9-4-2-1-3-5-9/h1-8,18H,(H,19,21).
What are the key properties of N'-[2-nitro-4-(trifluoromethyl)phenyl]benzohydrazide?
N'-[2-nitro-4-(trifluoromethyl)phenyl]benzohydrazide has a molecular weight of 325.25 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-nitro-4-(trifluoromethyl)phenyl]benzohydrazide is sourced from PubChem (CID 3098811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).