N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[[2-(trifluoromethyl)-4-pyridinyl]amino]benzamide

C20H15F3N4O2 — CID 135968233

IUPACN-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[[2-(trifluoromethyl)-4-pyridinyl]amino]benzamide
SMILESO=C(N/N=C/c1ccccc1O)c1ccccc1Nc1ccnc(C(F)(F)F)c1
InChIInChI=1S/C20H15F3N4O2/c21-20(22,23)18-11-14(9-10-24-18)26-16-7-3-2-6-15(16)19(29)27-25-12-13-5-1-4-8-17(13)28/h1-12,28H,(H,24,26)(H,27,29)/b25-12+
InChIKeyHYYLWNCCFQMCHI-BRJLIKDPSA-N
MW400.36 g/mol
LogP4.31
Rot. Bonds5

About N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[[2-(trifluoromethyl)-4-pyridinyl]amino]benzamide

N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[[2-(trifluoromethyl)-4-pyridinyl]amino]benzamide (PubChem CID 135968233) has the molecular formula C20H15F3N4O2 and a molecular weight of 400.36 g/mol. Its IUPAC name is N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[[2-(trifluoromethyl)-4-pyridinyl]amino]benzamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[[2-(trifluoromethyl)-4-pyridinyl]amino]benzamide
PubChem CID135968233
Molecular FormulaC20H15F3N4O2
Molecular Weight400.36 g/mol
Exact Mass400.11
IUPAC NameN-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[[2-(trifluoromethyl)-4-pyridinyl]amino]benzamide
SMILESO=C(N/N=C/c1ccccc1O)c1ccccc1Nc1ccnc(C(F)(F)F)c1
InChIInChI=1S/C20H15F3N4O2/c21-20(22,23)18-11-14(9-10-24-18)26-16-7-3-2-6-15(16)19(29)27-25-12-13-5-1-4-8-17(13)28/h1-12,28H,(H,24,26)(H,27,29)/b25-12+
InChIKeyHYYLWNCCFQMCHI-BRJLIKDPSA-N
XLogP4.31
TPSA86.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.36
LogP ≤ 54.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-[1-(2-hydroxyphenyl)ethylidene]isonicotinohydrazide
CID 135408522
2-hydroxy-N-[(E)-quinolin-4-ylmethylideneamino]benzamide
CID 6891142
2-hydroxy-N'-[(E)-quinolin-8-ylmethylidene]benzohydrazide
CID 9653239
N-[1-(2-hydroxyphenyl)ethylideneamino]pyridine-4-carboxamide
CID 235705
4-Hydroxybenzaldehyde nicotinoyl hydrazone
CID 135483803
2-hydroxy-N'-[(1Z)-pyridin-2-ylmethylene]benzohydrazide
CID 5370915
[4-Fluoro-3-(trifluoromethyl)phenyl]-[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]methanone
CID 54580078
[3-Fluoro-4-(trifluoromethyl)phenyl]-[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]methanone
CID 54581065
[3-Fluoro-5-(trifluoromethyl)phenyl]-[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]methanone
CID 54585001
N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide
CID 135521469
N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-[[2-(trifluoromethyl)-4-pyridinyl]amino]benzamide
CID 135968234
N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-[[2-(trifluoromethyl)-4-pyridinyl]amino]benzamide
CID 135968235

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[[2-(trifluoromethyl)-4-pyridinyl]amino]benzamide?
The IUPAC name of N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[[2-(trifluoromethyl)-4-pyridinyl]amino]benzamide (CID 135968233) is N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[[2-(trifluoromethyl)-4-pyridinyl]amino]benzamide.
What is the SMILES notation for N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[[2-(trifluoromethyl)-4-pyridinyl]amino]benzamide?
The canonical SMILES for N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[[2-(trifluoromethyl)-4-pyridinyl]amino]benzamide is O=C(N/N=C/c1ccccc1O)c1ccccc1Nc1ccnc(C(F)(F)F)c1.
What is the InChIKey of N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[[2-(trifluoromethyl)-4-pyridinyl]amino]benzamide?
The InChIKey is HYYLWNCCFQMCHI-BRJLIKDPSA-N. The full InChI is InChI=1S/C20H15F3N4O2/c21-20(22,23)18-11-14(9-10-24-18)26-16-7-3-2-6-15(16)19(29)27-25-12-13-5-1-4-8-17(13)28/h1-12,28H,(H,24,26)(H,27,29)/b25-12+.
What are the key properties of N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[[2-(trifluoromethyl)-4-pyridinyl]amino]benzamide?
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[[2-(trifluoromethyl)-4-pyridinyl]amino]benzamide has a molecular weight of 400.36 g/mol, XLogP of 4.31, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[[2-(trifluoromethyl)-4-pyridinyl]amino]benzamide is sourced from PubChem (CID 135968233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).