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

C17H19F3N6 — CID 142468290

IUPACN'-[2-(methylamino)ethyldiazenyl]-2-[3-(trifluoromethyl)anilino]benzenecarboximidamide
SMILESCNCC/N=N/N=C(\N)c1ccccc1Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H19F3N6/c1-22-9-10-23-26-25-16(21)14-7-2-3-8-15(14)24-13-6-4-5-12(11-13)17(18,19)20/h2-8,11,22,24H,9-10H2,1H3,(H2,21,23,25)
InChIKeyOTZSGGRNJVDTRM-UHFFFAOYSA-N
MW364.38 g/mol
LogP3.74
Rot. Bonds7

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

N'-[2-(methylamino)ethyldiazenyl]-2-[3-(trifluoromethyl)anilino]benzenecarboximidamide (PubChem CID 142468290) has the molecular formula C17H19F3N6 and a molecular weight of 364.38 g/mol. Its IUPAC name is N'-[2-(methylamino)ethyldiazenyl]-2-[3-(trifluoromethyl)anilino]benzenecarboximidamide.

Molecular Properties

Compound NameN'-[2-(methylamino)ethyldiazenyl]-2-[3-(trifluoromethyl)anilino]benzenecarboximidamide
PubChem CID142468290
Molecular FormulaC17H19F3N6
Molecular Weight364.38 g/mol
Exact Mass364.16
IUPAC NameN'-[2-(methylamino)ethyldiazenyl]-2-[3-(trifluoromethyl)anilino]benzenecarboximidamide
SMILESCNCC/N=N/N=C(\N)c1ccccc1Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H19F3N6/c1-22-9-10-23-26-25-16(21)14-7-2-3-8-15(14)24-13-6-4-5-12(11-13)17(18,19)20/h2-8,11,22,24H,9-10H2,1H3,(H2,21,23,25)
InChIKeyOTZSGGRNJVDTRM-UHFFFAOYSA-N
XLogP3.74
TPSA87.16 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 53.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-hydrazinyl-2-[3-(trifluoromethyl)anilino]benzenecarboximidamide
CID 142467925
ethane;2-[3-(trifluoromethyl)anilino]benzamide
CID 142468111
(2-methoxyphenyl) 2-[3-(trifluoromethyl)anilino]benzoate
CID 11596190
(2-methoxy-2-oxoethyl) 2-[3-(trifluoromethyl)anilino]benzoate
CID 16619639
2-[2-[2-[3-(trifluoromethyl)anilino]benzoyl]oxyethoxy]ethyl 2-[3-(trifluoromethyl)anilino]benzoate
CID 129318388
2-N-[3-(trifluoromethyl)phenyl]benzene-1,2-diamine
CID 3729763
2-ethyl-N-[3-(trifluoromethyl)phenyl]aniline
CID 142875759
[2-(2-acetylhydrazinyl)-2-oxoethyl] 2-[3-(trifluoromethyl)anilino]benzoate
CID 8789976
[4-(methylaminomethyl)piperidin-1-yl]-[2-[3-(trifluoromethyl)anilino]phenyl]methanone;hydrochloride
CID 119545996
5-amino-N-propyl-2-[3-(trifluoromethyl)anilino]benzamide
CID 100648066
N-[2-(cyclopropanecarbonylamino)ethyl]-2-[3-(trifluoromethyl)anilino]benzamide
CID 112767635
4-tert-butyl-3-N-[3-(trifluoromethyl)phenyl]benzene-1,3-diamine
CID 155344319

Frequently Asked Questions

What is the IUPAC name of N'-[2-(methylamino)ethyldiazenyl]-2-[3-(trifluoromethyl)anilino]benzenecarboximidamide?
The IUPAC name of N'-[2-(methylamino)ethyldiazenyl]-2-[3-(trifluoromethyl)anilino]benzenecarboximidamide (CID 142468290) is N'-[2-(methylamino)ethyldiazenyl]-2-[3-(trifluoromethyl)anilino]benzenecarboximidamide.
What is the SMILES notation for N'-[2-(methylamino)ethyldiazenyl]-2-[3-(trifluoromethyl)anilino]benzenecarboximidamide?
The canonical SMILES for N'-[2-(methylamino)ethyldiazenyl]-2-[3-(trifluoromethyl)anilino]benzenecarboximidamide is CNCC/N=N/N=C(\N)c1ccccc1Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of N'-[2-(methylamino)ethyldiazenyl]-2-[3-(trifluoromethyl)anilino]benzenecarboximidamide?
The InChIKey is OTZSGGRNJVDTRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N6/c1-22-9-10-23-26-25-16(21)14-7-2-3-8-15(14)24-13-6-4-5-12(11-13)17(18,19)20/h2-8,11,22,24H,9-10H2,1H3,(H2,21,23,25).
What are the key properties of N'-[2-(methylamino)ethyldiazenyl]-2-[3-(trifluoromethyl)anilino]benzenecarboximidamide?
N'-[2-(methylamino)ethyldiazenyl]-2-[3-(trifluoromethyl)anilino]benzenecarboximidamide has a molecular weight of 364.38 g/mol, XLogP of 3.74, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(methylamino)ethyldiazenyl]-2-[3-(trifluoromethyl)anilino]benzenecarboximidamide is sourced from PubChem (CID 142468290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).