N-[(2Z)-1-amino-2-[(2,6-difluorophenyl)hydrazinylidene]ethylidene]-2-(trifluoromethyl)benzamide

C16H11F5N4O — CID 135275969

IUPACN-[(2Z)-1-amino-2-[(2,6-difluorophenyl)hydrazinylidene]ethylidene]-2-(trifluoromethyl)benzamide
SMILESNC(/C=N\Nc1c(F)cccc1F)=N\C(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C16H11F5N4O/c17-11-6-3-7-12(18)14(11)25-23-8-13(22)24-15(26)9-4-1-2-5-10(9)16(19,20)21/h1-8,25H,(H2,22,24,26)/b23-8-
InChIKeyPZJOFGMTPGDZOA-NYAPKIOYSA-N
MW370.28 g/mol
LogP3.58
Rot. Bonds4

About N-[(2Z)-1-amino-2-[(2,6-difluorophenyl)hydrazinylidene]ethylidene]-2-(trifluoromethyl)benzamide

N-[(2Z)-1-amino-2-[(2,6-difluorophenyl)hydrazinylidene]ethylidene]-2-(trifluoromethyl)benzamide (PubChem CID 135275969) has the molecular formula C16H11F5N4O and a molecular weight of 370.28 g/mol. Its IUPAC name is N-[(2Z)-1-amino-2-[(2,6-difluorophenyl)hydrazinylidene]ethylidene]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(2Z)-1-amino-2-[(2,6-difluorophenyl)hydrazinylidene]ethylidene]-2-(trifluoromethyl)benzamide
PubChem CID135275969
Molecular FormulaC16H11F5N4O
Molecular Weight370.28 g/mol
Exact Mass370.09
IUPAC NameN-[(2Z)-1-amino-2-[(2,6-difluorophenyl)hydrazinylidene]ethylidene]-2-(trifluoromethyl)benzamide
SMILESNC(/C=N\Nc1c(F)cccc1F)=N\C(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C16H11F5N4O/c17-11-6-3-7-12(18)14(11)25-23-8-13(22)24-15(26)9-4-1-2-5-10(9)16(19,20)21/h1-8,25H,(H2,22,24,26)/b23-8-
InChIKeyPZJOFGMTPGDZOA-NYAPKIOYSA-N
XLogP3.58
TPSA79.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.28
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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-fluoro-6-(trifluoromethyl)phenyl]urea
CID 83403332
N-(diaminomethylidene)-2-fluoro-3-(trifluoromethyl)benzamide
CID 15290113
3-fluoro-2-(trifluoromethyl)benzamide
CID 2774778
2-fluoro-N-[4-[2-fluoro-6-(trifluoromethyl)phenyl]phenyl]benzamide
CID 151067192
N-[4-(carbamoylamino)phenyl]-2-(trifluoromethyl)benzamide
CID 46530485
[[2-fluoro-6-(trifluoromethyl)phenyl]methylideneamino]thiourea
CID 168534170
(2R)-2-[2-fluoro-6-(trifluoromethyl)phenyl]-2-hydroxyacetamide
CID 99645736
2,3,5,6-tetrafluoro-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]aniline
CID 6291151
chloro hypochlorite;copper;2-(trifluoromethyl)benzamide
CID 159662780
N-(4-aminobutyl)-2-(trifluoromethyl)benzamide
CID 60894679
N-(3-amino-3-sulfanylidenepropyl)-2-(trifluoromethyl)benzamide
CID 62665548
methyl 2-(trifluoromethyl)benzoate
CID 2775578

Frequently Asked Questions

What is the IUPAC name of N-[(2Z)-1-amino-2-[(2,6-difluorophenyl)hydrazinylidene]ethylidene]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[(2Z)-1-amino-2-[(2,6-difluorophenyl)hydrazinylidene]ethylidene]-2-(trifluoromethyl)benzamide (CID 135275969) is N-[(2Z)-1-amino-2-[(2,6-difluorophenyl)hydrazinylidene]ethylidene]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(2Z)-1-amino-2-[(2,6-difluorophenyl)hydrazinylidene]ethylidene]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[(2Z)-1-amino-2-[(2,6-difluorophenyl)hydrazinylidene]ethylidene]-2-(trifluoromethyl)benzamide is NC(/C=N\Nc1c(F)cccc1F)=N\C(=O)c1ccccc1C(F)(F)F.
What is the InChIKey of N-[(2Z)-1-amino-2-[(2,6-difluorophenyl)hydrazinylidene]ethylidene]-2-(trifluoromethyl)benzamide?
The InChIKey is PZJOFGMTPGDZOA-NYAPKIOYSA-N. The full InChI is InChI=1S/C16H11F5N4O/c17-11-6-3-7-12(18)14(11)25-23-8-13(22)24-15(26)9-4-1-2-5-10(9)16(19,20)21/h1-8,25H,(H2,22,24,26)/b23-8-.
What are the key properties of N-[(2Z)-1-amino-2-[(2,6-difluorophenyl)hydrazinylidene]ethylidene]-2-(trifluoromethyl)benzamide?
N-[(2Z)-1-amino-2-[(2,6-difluorophenyl)hydrazinylidene]ethylidene]-2-(trifluoromethyl)benzamide has a molecular weight of 370.28 g/mol, XLogP of 3.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2Z)-1-amino-2-[(2,6-difluorophenyl)hydrazinylidene]ethylidene]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 135275969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).