(2E,4E)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-methyl-5-(trifluoromethyl)hepta-2,4,6-trienamide

C16H15F3N2O2 — CID 172954421

IUPAC(2E,4E)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-methyl-5-(trifluoromethyl)hepta-2,4,6-trienamide
SMILESC=C/C(=C\C=C(/C)C(=O)N/N=C/c1ccccc1O)C(F)(F)F
InChIInChI=1S/C16H15F3N2O2/c1-3-13(16(17,18)19)9-8-11(2)15(23)21-20-10-12-6-4-5-7-14(12)22/h3-10,22H,1H2,2H3,(H,21,23)/b11-8+,13-9+,20-10+
InChIKeyUEXUQSAEYFLRQR-ZDWHJDECSA-N
MW324.30 g/mol
LogP3.46
Rot. Bonds5

About (2E,4E)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-methyl-5-(trifluoromethyl)hepta-2,4,6-trienamide

(2E,4E)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-methyl-5-(trifluoromethyl)hepta-2,4,6-trienamide (PubChem CID 172954421) has the molecular formula C16H15F3N2O2 and a molecular weight of 324.30 g/mol. Its IUPAC name is (2E,4E)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-methyl-5-(trifluoromethyl)hepta-2,4,6-trienamide.

Molecular Properties

Compound Name(2E,4E)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-methyl-5-(trifluoromethyl)hepta-2,4,6-trienamide
PubChem CID172954421
Molecular FormulaC16H15F3N2O2
Molecular Weight324.30 g/mol
Exact Mass324.11
IUPAC Name(2E,4E)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-methyl-5-(trifluoromethyl)hepta-2,4,6-trienamide
SMILESC=C/C(=C\C=C(/C)C(=O)N/N=C/c1ccccc1O)C(F)(F)F
InChIInChI=1S/C16H15F3N2O2/c1-3-13(16(17,18)19)9-8-11(2)15(23)21-20-10-12-6-4-5-7-14(12)22/h3-10,22H,1H2,2H3,(H,21,23)/b11-8+,13-9+,20-10+
InChIKeyUEXUQSAEYFLRQR-ZDWHJDECSA-N
XLogP3.46
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.30
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N'-[(E)-(2-hydroxyphenyl)methylideneamino]-N-methyloxamide
CID 135531553
2-[(E)-[[1-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-methylprop-1-enyl]hydrazinylidene]methyl]phenol
CID 166987250
[(Z)-(2-hydroxyphenyl)methylideneamino]urea
CID 135741564
2-benzylidene-N,N'-bis[(E)-(2-hydroxyphenyl)methylideneamino]propanediamide
CID 171981258
(2S)-2-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]propanamide
CID 135688184
N-[(2,4-dihydroxyphenyl)methylideneamino]-2-methylbut-2-enamide
CID 4531910
3,5-dihydroxy-N-[(Z)-(2-hydroxyphenyl)methylideneamino]benzamide
CID 135708473
N'-[(E)-(2-hydroxyphenyl)methylideneamino]-N-propan-2-ylpropanediamide
CID 135531764
N,N'-bis[(2,3-dihydroxyphenyl)methylideneamino]oxamide
CID 5041852
3-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-3-oxopropanoate
CID 135683195
1,1-dichloro-3-[(2-hydroxyphenyl)methylideneamino]thiourea
CID 137178247
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[[2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]amino]acetamide
CID 177478603

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-methyl-5-(trifluoromethyl)hepta-2,4,6-trienamide?
The IUPAC name of (2E,4E)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-methyl-5-(trifluoromethyl)hepta-2,4,6-trienamide (CID 172954421) is (2E,4E)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-methyl-5-(trifluoromethyl)hepta-2,4,6-trienamide.
What is the SMILES notation for (2E,4E)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-methyl-5-(trifluoromethyl)hepta-2,4,6-trienamide?
The canonical SMILES for (2E,4E)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-methyl-5-(trifluoromethyl)hepta-2,4,6-trienamide is C=C/C(=C\C=C(/C)C(=O)N/N=C/c1ccccc1O)C(F)(F)F.
What is the InChIKey of (2E,4E)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-methyl-5-(trifluoromethyl)hepta-2,4,6-trienamide?
The InChIKey is UEXUQSAEYFLRQR-ZDWHJDECSA-N. The full InChI is InChI=1S/C16H15F3N2O2/c1-3-13(16(17,18)19)9-8-11(2)15(23)21-20-10-12-6-4-5-7-14(12)22/h3-10,22H,1H2,2H3,(H,21,23)/b11-8+,13-9+,20-10+.
What are the key properties of (2E,4E)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-methyl-5-(trifluoromethyl)hepta-2,4,6-trienamide?
(2E,4E)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-methyl-5-(trifluoromethyl)hepta-2,4,6-trienamide has a molecular weight of 324.30 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-methyl-5-(trifluoromethyl)hepta-2,4,6-trienamide is sourced from PubChem (CID 172954421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).