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

C14H9F3N4O5 — CID 29409066

IUPAC2-nitro-N'-[2-nitro-4-(trifluoromethyl)phenyl]benzohydrazide
SMILESO=C(NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C14H9F3N4O5/c15-14(16,17)8-5-6-10(12(7-8)21(25)26)18-19-13(22)9-3-1-2-4-11(9)20(23)24/h1-7,18H,(H,19,22)
InChIKeyMHVPUBSAOKZKNS-UHFFFAOYSA-N
MW370.24 g/mol
LogP3.28
Rot. Bonds5

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

2-nitro-N'-[2-nitro-4-(trifluoromethyl)phenyl]benzohydrazide (PubChem CID 29409066) has the molecular formula C14H9F3N4O5 and a molecular weight of 370.24 g/mol. Its IUPAC name is 2-nitro-N'-[2-nitro-4-(trifluoromethyl)phenyl]benzohydrazide.

Molecular Properties

Compound Name2-nitro-N'-[2-nitro-4-(trifluoromethyl)phenyl]benzohydrazide
PubChem CID29409066
Molecular FormulaC14H9F3N4O5
Molecular Weight370.24 g/mol
Exact Mass370.05
IUPAC Name2-nitro-N'-[2-nitro-4-(trifluoromethyl)phenyl]benzohydrazide
SMILESO=C(NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C14H9F3N4O5/c15-14(16,17)8-5-6-10(12(7-8)21(25)26)18-19-13(22)9-3-1-2-4-11(9)20(23)24/h1-7,18H,(H,19,22)
InChIKeyMHVPUBSAOKZKNS-UHFFFAOYSA-N
XLogP3.28
TPSA127.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.24
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

5-fluoro-2-methyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]benzohydrazide
CID 29410018
2,5-dimethyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]furan-3-carbohydrazide
CID 29409438
2-nitro-N'-[2-nitro-4-(trifluoromethyl)phenyl]-5-(2,2,2-trifluoroethoxy)benzohydrazide
CID 55794086
N'-[2-nitro-4-(trifluoromethyl)phenyl]-1-benzothiophene-2-carbohydrazide
CID 29409626
N'-[2-nitro-4-(trifluoromethyl)phenyl]quinoline-2-carbohydrazide
CID 29409127
N'-[2-nitro-4-(trifluoromethyl)phenyl]-4-propan-2-ylbenzohydrazide
CID 29409169
N'-[2-nitro-4-(trifluoromethyl)phenyl]furan-3-carbohydrazide
CID 29409858
3-methyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]-1-benzofuran-2-carbohydrazide
CID 29408654
3-methyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]thiophene-2-carbohydrazide
CID 29409132
2-bromo-N'-[3-[2-nitro-4-(trifluoromethyl)anilino]propanoyl]benzohydrazide
CID 46523689
3,4-dimethoxy-N'-[2-nitro-4-(trifluoromethyl)phenyl]benzohydrazide
CID 29409295
N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-2-nitrobenzamide
CID 16959400

Frequently Asked Questions

What is the IUPAC name of 2-nitro-N'-[2-nitro-4-(trifluoromethyl)phenyl]benzohydrazide?
The IUPAC name of 2-nitro-N'-[2-nitro-4-(trifluoromethyl)phenyl]benzohydrazide (CID 29409066) is 2-nitro-N'-[2-nitro-4-(trifluoromethyl)phenyl]benzohydrazide.
What is the SMILES notation for 2-nitro-N'-[2-nitro-4-(trifluoromethyl)phenyl]benzohydrazide?
The canonical SMILES for 2-nitro-N'-[2-nitro-4-(trifluoromethyl)phenyl]benzohydrazide is O=C(NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-nitro-N'-[2-nitro-4-(trifluoromethyl)phenyl]benzohydrazide?
The InChIKey is MHVPUBSAOKZKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N4O5/c15-14(16,17)8-5-6-10(12(7-8)21(25)26)18-19-13(22)9-3-1-2-4-11(9)20(23)24/h1-7,18H,(H,19,22).
What are the key properties of 2-nitro-N'-[2-nitro-4-(trifluoromethyl)phenyl]benzohydrazide?
2-nitro-N'-[2-nitro-4-(trifluoromethyl)phenyl]benzohydrazide has a molecular weight of 370.24 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-N'-[2-nitro-4-(trifluoromethyl)phenyl]benzohydrazide is sourced from PubChem (CID 29409066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).