N'-[1-(4-methanimidoylphenyl)ethenyl]-N-[4-(trifluoromethyl)phenyl]methanimidamide

C17H14F3N3 — CID 123307290

IUPACN'-[1-(4-methanimidoylphenyl)ethenyl]-N-[4-(trifluoromethyl)phenyl]methanimidamide
SMILES[H]/N=C/c1ccc(C(=C)/N=C/Nc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C17H14F3N3/c1-12(14-4-2-13(10-21)3-5-14)22-11-23-16-8-6-15(7-9-16)17(18,19)20/h2-11,21H,1H2,(H,22,23)/b21-10+
InChIKeyIYNBTILGMSQPGV-UFFVCSGVSA-N
MW317.31 g/mol
LogP4.81
Rot. Bonds5

About N'-[1-(4-methanimidoylphenyl)ethenyl]-N-[4-(trifluoromethyl)phenyl]methanimidamide

N'-[1-(4-methanimidoylphenyl)ethenyl]-N-[4-(trifluoromethyl)phenyl]methanimidamide (PubChem CID 123307290) has the molecular formula C17H14F3N3 and a molecular weight of 317.31 g/mol. Its IUPAC name is N'-[1-(4-methanimidoylphenyl)ethenyl]-N-[4-(trifluoromethyl)phenyl]methanimidamide.

Molecular Properties

Compound NameN'-[1-(4-methanimidoylphenyl)ethenyl]-N-[4-(trifluoromethyl)phenyl]methanimidamide
PubChem CID123307290
Molecular FormulaC17H14F3N3
Molecular Weight317.31 g/mol
Exact Mass317.11
IUPAC NameN'-[1-(4-methanimidoylphenyl)ethenyl]-N-[4-(trifluoromethyl)phenyl]methanimidamide
SMILES[H]/N=C/c1ccc(C(=C)/N=C/Nc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C17H14F3N3/c1-12(14-4-2-13(10-21)3-5-14)22-11-23-16-8-6-15(7-9-16)17(18,19)20/h2-11,21H,1H2,(H,22,23)/b21-10+
InChIKeyIYNBTILGMSQPGV-UFFVCSGVSA-N
XLogP4.81
TPSA48.24 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.31
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-[[4-(trifluoromethyl)phenyl]methylideneamino]aniline
CID 5115489
4-bromo-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]benzamide
CID 7768186
1-N-[(4-chlorophenyl)methylidene]-3-N-[1-[4-(trifluoromethyl)phenyl]ethylidene]propane-1,2,3-triimine;hydrochloride
CID 158782908
2-methanimidoyl-6-methyl-N-[4-(trifluoromethyl)phenyl]aniline
CID 143075908
N-phenyl-4-(trifluoromethyl)benzenecarbohydrazonoyl chloride
CID 86046826
1-(trifluoromethyl)-4-[(Z)-2-[4-[1-[4-(trifluoromethyl)phenyl]ethenyl]phenyl]-1-[4-[(Z)-2-[4-(trifluoromethyl)phenyl]-2-[4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 177464868
N-methoxy-1-[4-(trifluoromethyl)phenyl]methanimine
CID 74057330
1-(trifluoromethyl)-4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzene
CID 11758889
(Z)-1-(4-bromophenyl)-3-[4-(trifluoromethyl)anilino]prop-2-en-1-one
CID 18530697
N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]pyridine-2-carboxamide
CID 6879061
1-amino-3-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]urea
CID 131985079
ethane;1-[(2Z,4E)-4-methoxyhexa-2,4-dien-3-yl]-4-(trifluoromethyl)benzene;N-methylmethanamine
CID 142535486

Frequently Asked Questions

What is the IUPAC name of N'-[1-(4-methanimidoylphenyl)ethenyl]-N-[4-(trifluoromethyl)phenyl]methanimidamide?
The IUPAC name of N'-[1-(4-methanimidoylphenyl)ethenyl]-N-[4-(trifluoromethyl)phenyl]methanimidamide (CID 123307290) is N'-[1-(4-methanimidoylphenyl)ethenyl]-N-[4-(trifluoromethyl)phenyl]methanimidamide.
What is the SMILES notation for N'-[1-(4-methanimidoylphenyl)ethenyl]-N-[4-(trifluoromethyl)phenyl]methanimidamide?
The canonical SMILES for N'-[1-(4-methanimidoylphenyl)ethenyl]-N-[4-(trifluoromethyl)phenyl]methanimidamide is [H]/N=C/c1ccc(C(=C)/N=C/Nc2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of N'-[1-(4-methanimidoylphenyl)ethenyl]-N-[4-(trifluoromethyl)phenyl]methanimidamide?
The InChIKey is IYNBTILGMSQPGV-UFFVCSGVSA-N. The full InChI is InChI=1S/C17H14F3N3/c1-12(14-4-2-13(10-21)3-5-14)22-11-23-16-8-6-15(7-9-16)17(18,19)20/h2-11,21H,1H2,(H,22,23)/b21-10+.
What are the key properties of N'-[1-(4-methanimidoylphenyl)ethenyl]-N-[4-(trifluoromethyl)phenyl]methanimidamide?
N'-[1-(4-methanimidoylphenyl)ethenyl]-N-[4-(trifluoromethyl)phenyl]methanimidamide has a molecular weight of 317.31 g/mol, XLogP of 4.81, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(4-methanimidoylphenyl)ethenyl]-N-[4-(trifluoromethyl)phenyl]methanimidamide is sourced from PubChem (CID 123307290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).