N'-hydrazinyl-2-[3-(trifluoromethyl)anilino]benzenecarboximidamide

C14H14F3N5 — CID 142467925

IUPACN'-hydrazinyl-2-[3-(trifluoromethyl)anilino]benzenecarboximidamide
SMILESNN/N=C(\N)c1ccccc1Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H14F3N5/c15-14(16,17)9-4-3-5-10(8-9)20-12-7-2-1-6-11(12)13(18)21-22-19/h1-8,20,22H,19H2,(H2,18,21)
InChIKeyWYPQPNLYTWMLCR-UHFFFAOYSA-N
MW309.30 g/mol
LogP2.53
Rot. Bonds4

About N'-hydrazinyl-2-[3-(trifluoromethyl)anilino]benzenecarboximidamide

N'-hydrazinyl-2-[3-(trifluoromethyl)anilino]benzenecarboximidamide (PubChem CID 142467925) has the molecular formula C14H14F3N5 and a molecular weight of 309.30 g/mol. Its IUPAC name is N'-hydrazinyl-2-[3-(trifluoromethyl)anilino]benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydrazinyl-2-[3-(trifluoromethyl)anilino]benzenecarboximidamide
PubChem CID142467925
Molecular FormulaC14H14F3N5
Molecular Weight309.30 g/mol
Exact Mass309.12
IUPAC NameN'-hydrazinyl-2-[3-(trifluoromethyl)anilino]benzenecarboximidamide
SMILESNN/N=C(\N)c1ccccc1Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H14F3N5/c15-14(16,17)9-4-3-5-10(8-9)20-12-7-2-1-6-11(12)13(18)21-22-19/h1-8,20,22H,19H2,(H2,18,21)
InChIKeyWYPQPNLYTWMLCR-UHFFFAOYSA-N
XLogP2.53
TPSA88.46 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.30
LogP ≤ 52.53
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

ethane;2-[3-(trifluoromethyl)anilino]benzamide
CID 142468111
N'-[2-(methylamino)ethyldiazenyl]-2-[3-(trifluoromethyl)anilino]benzenecarboximidamide
CID 142468290
2-N-[3-(trifluoromethyl)phenyl]benzene-1,2-diamine
CID 3729763
(2-methoxyphenyl) 2-[3-(trifluoromethyl)anilino]benzoate
CID 11596190
2-[2-[2-[3-(trifluoromethyl)anilino]benzoyl]oxyethoxy]ethyl 2-[3-(trifluoromethyl)anilino]benzoate
CID 129318388
[2-(2-acetylhydrazinyl)-2-oxoethyl] 2-[3-(trifluoromethyl)anilino]benzoate
CID 8789976
(2-methoxy-2-oxoethyl) 2-[3-(trifluoromethyl)anilino]benzoate
CID 16619639
N'-hydrazinyl-2-(4-methoxyanilino)benzenecarboximidamide
CID 142467985
2-fluoro-N-phenyl-3-[3-(trifluoromethyl)anilino]benzamide
CID 10547402
ethane;3-fluoro-N'-hydrazinyl-2-[4-(trifluoromethyl)anilino]benzenecarboximidamide
CID 142468279
2-ethyl-N-[3-(trifluoromethyl)phenyl]aniline
CID 142875759
2-ethynyl-N-[3-(trifluoromethyl)phenyl]aniline
CID 135372433

Frequently Asked Questions

What is the IUPAC name of N'-hydrazinyl-2-[3-(trifluoromethyl)anilino]benzenecarboximidamide?
The IUPAC name of N'-hydrazinyl-2-[3-(trifluoromethyl)anilino]benzenecarboximidamide (CID 142467925) is N'-hydrazinyl-2-[3-(trifluoromethyl)anilino]benzenecarboximidamide.
What is the SMILES notation for N'-hydrazinyl-2-[3-(trifluoromethyl)anilino]benzenecarboximidamide?
The canonical SMILES for N'-hydrazinyl-2-[3-(trifluoromethyl)anilino]benzenecarboximidamide is NN/N=C(\N)c1ccccc1Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of N'-hydrazinyl-2-[3-(trifluoromethyl)anilino]benzenecarboximidamide?
The InChIKey is WYPQPNLYTWMLCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N5/c15-14(16,17)9-4-3-5-10(8-9)20-12-7-2-1-6-11(12)13(18)21-22-19/h1-8,20,22H,19H2,(H2,18,21).
What are the key properties of N'-hydrazinyl-2-[3-(trifluoromethyl)anilino]benzenecarboximidamide?
N'-hydrazinyl-2-[3-(trifluoromethyl)anilino]benzenecarboximidamide has a molecular weight of 309.30 g/mol, XLogP of 2.53, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydrazinyl-2-[3-(trifluoromethyl)anilino]benzenecarboximidamide is sourced from PubChem (CID 142467925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).