ethane;3-fluoro-N'-hydrazinyl-2-[4-(trifluoromethyl)anilino]benzenecarboximidamide

C16H19F4N5 — CID 142468279

IUPACethane;3-fluoro-N'-hydrazinyl-2-[4-(trifluoromethyl)anilino]benzenecarboximidamide
SMILESCC.NN/N=C(\N)c1cccc(F)c1Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H13F4N5.C2H6/c15-11-3-1-2-10(13(19)22-23-20)12(11)21-9-6-4-8(5-7-9)14(16,17)18;1-2/h1-7,21,23H,20H2,(H2,19,22);1-2H3
InChIKeyQPUQKINNGABQDI-UHFFFAOYSA-N
MW357.36 g/mol
LogP3.70
Rot. Bonds4

About ethane;3-fluoro-N'-hydrazinyl-2-[4-(trifluoromethyl)anilino]benzenecarboximidamide

ethane;3-fluoro-N'-hydrazinyl-2-[4-(trifluoromethyl)anilino]benzenecarboximidamide (PubChem CID 142468279) has the molecular formula C16H19F4N5 and a molecular weight of 357.36 g/mol. Its IUPAC name is ethane;3-fluoro-N'-hydrazinyl-2-[4-(trifluoromethyl)anilino]benzenecarboximidamide.

Molecular Properties

Compound Nameethane;3-fluoro-N'-hydrazinyl-2-[4-(trifluoromethyl)anilino]benzenecarboximidamide
PubChem CID142468279
Molecular FormulaC16H19F4N5
Molecular Weight357.36 g/mol
Exact Mass357.16
IUPAC Nameethane;3-fluoro-N'-hydrazinyl-2-[4-(trifluoromethyl)anilino]benzenecarboximidamide
SMILESCC.NN/N=C(\N)c1cccc(F)c1Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H13F4N5.C2H6/c15-11-3-1-2-10(13(19)22-23-20)12(11)21-9-6-4-8(5-7-9)14(16,17)18;1-2/h1-7,21,23H,20H2,(H2,19,22);1-2H3
InChIKeyQPUQKINNGABQDI-UHFFFAOYSA-N
XLogP3.70
TPSA88.46 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.36
LogP ≤ 53.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[4-(1,1-difluoroethyl)anilino]-N'-hydrazinylpyridine-3-carboximidamide;ethane
CID 142468138
N'-hydrazinyl-2-[3-(trifluoromethyl)anilino]benzenecarboximidamide
CID 142467925
ethane;4-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]aniline
CID 144664157
3-fluoro-2-(4-iodoanilino)benzamide
CID 175969142
2-[4-(trifluoromethyl)anilino]benzamide
CID 71461991
2,6-difluoro-N-[3-(trifluoromethyl)phenyl]aniline
CID 82536810
N'-hydrazinyl-2-(4-methoxyanilino)benzenecarboximidamide
CID 142467985
2-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 12812716
N'-(2,6-difluorophenyl)-N-[4-(trifluoromethyl)phenyl]propanediamide
CID 108956121
N-(2,6-difluorophenyl)-5-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109200327
N-[6-(2,6-difluoroanilino)pyridazin-3-yl]-4-(trifluoromethyl)benzamide
CID 113051572
ethane;4-fluoro-N'-hydrazinyl-2-methylbenzenecarboximidamide
CID 169270080

Frequently Asked Questions

What is the IUPAC name of ethane;3-fluoro-N'-hydrazinyl-2-[4-(trifluoromethyl)anilino]benzenecarboximidamide?
The IUPAC name of ethane;3-fluoro-N'-hydrazinyl-2-[4-(trifluoromethyl)anilino]benzenecarboximidamide (CID 142468279) is ethane;3-fluoro-N'-hydrazinyl-2-[4-(trifluoromethyl)anilino]benzenecarboximidamide.
What is the SMILES notation for ethane;3-fluoro-N'-hydrazinyl-2-[4-(trifluoromethyl)anilino]benzenecarboximidamide?
The canonical SMILES for ethane;3-fluoro-N'-hydrazinyl-2-[4-(trifluoromethyl)anilino]benzenecarboximidamide is CC.NN/N=C(\N)c1cccc(F)c1Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of ethane;3-fluoro-N'-hydrazinyl-2-[4-(trifluoromethyl)anilino]benzenecarboximidamide?
The InChIKey is QPUQKINNGABQDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F4N5.C2H6/c15-11-3-1-2-10(13(19)22-23-20)12(11)21-9-6-4-8(5-7-9)14(16,17)18;1-2/h1-7,21,23H,20H2,(H2,19,22);1-2H3.
What are the key properties of ethane;3-fluoro-N'-hydrazinyl-2-[4-(trifluoromethyl)anilino]benzenecarboximidamide?
ethane;3-fluoro-N'-hydrazinyl-2-[4-(trifluoromethyl)anilino]benzenecarboximidamide has a molecular weight of 357.36 g/mol, XLogP of 3.70, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-fluoro-N'-hydrazinyl-2-[4-(trifluoromethyl)anilino]benzenecarboximidamide is sourced from PubChem (CID 142468279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).