N'-[2-nitro-5-(trifluoromethyl)phenyl]-N'-phenylacetohydrazide

C15H12F3N3O3 — CID 86346570

IUPACN'-[2-nitro-5-(trifluoromethyl)phenyl]-N'-phenylacetohydrazide
SMILESCC(=O)NN(c1ccccc1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-]
InChIInChI=1S/C15H12F3N3O3/c1-10(22)19-20(12-5-3-2-4-6-12)14-9-11(15(16,17)18)7-8-13(14)21(23)24/h2-9H,1H3,(H,19,22)
InChIKeySOQAAIIBCOHMRN-UHFFFAOYSA-N
MW339.27 g/mol
LogP3.80
Rot. Bonds4

About N'-[2-nitro-5-(trifluoromethyl)phenyl]-N'-phenylacetohydrazide

N'-[2-nitro-5-(trifluoromethyl)phenyl]-N'-phenylacetohydrazide (PubChem CID 86346570) has the molecular formula C15H12F3N3O3 and a molecular weight of 339.27 g/mol. Its IUPAC name is N'-[2-nitro-5-(trifluoromethyl)phenyl]-N'-phenylacetohydrazide.

Molecular Properties

Compound NameN'-[2-nitro-5-(trifluoromethyl)phenyl]-N'-phenylacetohydrazide
PubChem CID86346570
Molecular FormulaC15H12F3N3O3
Molecular Weight339.27 g/mol
Exact Mass339.08
IUPAC NameN'-[2-nitro-5-(trifluoromethyl)phenyl]-N'-phenylacetohydrazide
SMILESCC(=O)NN(c1ccccc1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-]
InChIInChI=1S/C15H12F3N3O3/c1-10(22)19-20(12-5-3-2-4-6-12)14-9-11(15(16,17)18)7-8-13(14)21(23)24/h2-9H,1H3,(H,19,22)
InChIKeySOQAAIIBCOHMRN-UHFFFAOYSA-N
XLogP3.80
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.27
LogP ≤ 53.80
H-Bond Donors ≤ 51
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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Related Compounds

2-methyl-2-[N-methyl-2-nitro-4-(trifluoromethyl)anilino]propanoic acid
CID 62818914
3-[N-methyl-2-nitro-4-(trifluoromethyl)anilino]propanoic acid
CID 60987310
1-[2-nitro-4-(trifluoromethyl)phenyl]-1-phenylpropan-2-one
CID 2754213
3-(N-methylanilino)-4-nitrobenzoic acid
CID 82784151
N-methyl-2-nitro-N-[3-(trifluoromethyl)phenyl]benzamide
CID 22245166
2-nitro-4-(trifluoromethyl)benzoic acid
CID 642096
N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-2-nitrobenzamide
CID 16959400
(2S)-2-[2-nitro-4-(trifluoromethyl)anilino]-N-phenylpropanamide
CID 7610238
1-[2-nitro-4-(trifluoromethyl)phenyl]butane-1,3-dione
CID 54014622
(Z)-3-methyl-4-[2-nitro-4-(trifluoromethyl)anilino]-4-oxobut-2-enoic acid
CID 39116534
N-[4-[2-nitro-4-(trifluoromethyl)anilino]phenyl]acetamide
CID 4657864
N-methyl-2-nitro-4-(trifluoromethyl)benzamide
CID 134085755

Frequently Asked Questions

What is the IUPAC name of N'-[2-nitro-5-(trifluoromethyl)phenyl]-N'-phenylacetohydrazide?
The IUPAC name of N'-[2-nitro-5-(trifluoromethyl)phenyl]-N'-phenylacetohydrazide (CID 86346570) is N'-[2-nitro-5-(trifluoromethyl)phenyl]-N'-phenylacetohydrazide.
What is the SMILES notation for N'-[2-nitro-5-(trifluoromethyl)phenyl]-N'-phenylacetohydrazide?
The canonical SMILES for N'-[2-nitro-5-(trifluoromethyl)phenyl]-N'-phenylacetohydrazide is CC(=O)NN(c1ccccc1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-].
What is the InChIKey of N'-[2-nitro-5-(trifluoromethyl)phenyl]-N'-phenylacetohydrazide?
The InChIKey is SOQAAIIBCOHMRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N3O3/c1-10(22)19-20(12-5-3-2-4-6-12)14-9-11(15(16,17)18)7-8-13(14)21(23)24/h2-9H,1H3,(H,19,22).
What are the key properties of N'-[2-nitro-5-(trifluoromethyl)phenyl]-N'-phenylacetohydrazide?
N'-[2-nitro-5-(trifluoromethyl)phenyl]-N'-phenylacetohydrazide has a molecular weight of 339.27 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-nitro-5-(trifluoromethyl)phenyl]-N'-phenylacetohydrazide is sourced from PubChem (CID 86346570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).