N-[(E)-benzylideneamino]-2-hydroxybenzamide;2,2,2-trifluoroacetic acid

C16H13F3N2O4 — CID 57397723

IUPACN-[(E)-benzylideneamino]-2-hydroxybenzamide;2,2,2-trifluoroacetic acid
SMILESO=C(N/N=C/c1ccccc1)c1ccccc1O.O=C(O)C(F)(F)F
InChIInChI=1S/C14H12N2O2.C2HF3O2/c17-13-9-5-4-8-12(13)14(18)16-15-10-11-6-2-1-3-7-11;3-2(4,5)1(6)7/h1-10,17H,(H,16,18);(H,6,7)/b15-10+;
InChIKeyOZSCGPAFQWEHFT-GYVLLFFHSA-N
MW354.28 g/mol
LogP2.79
Rot. Bonds3

About N-[(E)-benzylideneamino]-2-hydroxybenzamide;2,2,2-trifluoroacetic acid

N-[(E)-benzylideneamino]-2-hydroxybenzamide;2,2,2-trifluoroacetic acid (PubChem CID 57397723) has the molecular formula C16H13F3N2O4 and a molecular weight of 354.28 g/mol. Its IUPAC name is N-[(E)-benzylideneamino]-2-hydroxybenzamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-[(E)-benzylideneamino]-2-hydroxybenzamide;2,2,2-trifluoroacetic acid
PubChem CID57397723
Molecular FormulaC16H13F3N2O4
Molecular Weight354.28 g/mol
Exact Mass354.08
IUPAC NameN-[(E)-benzylideneamino]-2-hydroxybenzamide;2,2,2-trifluoroacetic acid
SMILESO=C(N/N=C/c1ccccc1)c1ccccc1O.O=C(O)C(F)(F)F
InChIInChI=1S/C14H12N2O2.C2HF3O2/c17-13-9-5-4-8-12(13)14(18)16-15-10-11-6-2-1-3-7-11;3-2(4,5)1(6)7/h1-10,17H,(H,16,18);(H,6,7)/b15-10+;
InChIKeyOZSCGPAFQWEHFT-GYVLLFFHSA-N
XLogP2.79
TPSA98.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.28
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-tert-butylphenyl)methylideneamino]-2-hydroxybenzamide
CID 793892
N-(benzylideneamino)-3-hydroxynaphthalene-2-carboxamide
CID 689876
2-hydroxy-N-[(2,3,4,5,6-pentafluorophenyl)methylideneamino]benzamide
CID 4683367
N-[(2-fluorophenyl)methylideneamino]-2-hydroxybenzamide
CID 674709
N-[(E)-benzylideneamino]-2-(hydroxymethyl)benzamide
CID 138392331
N-[(Z)-benzylideneamino]-2-hydroxy-4-methoxybenzamide
CID 126396389
N-[(Z)-(3,5-dibromo-4-methylphenyl)methylideneamino]-2-hydroxybenzamide
CID 126052608
2-hydroxy-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]benzamide
CID 6898776
N-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-hydroxybenzamide
CID 5333947
N-(benzylideneamino)-1-hydroxynaphthalene-2-carboxamide
CID 4115727
N-[(2-chloro-3-phenylprop-2-enylidene)amino]-2-hydroxybenzamide
CID 4587352
2-hydroxy-N-(2,2,2-trichloroethylideneamino)benzamide
CID 70615404

Frequently Asked Questions

What is the IUPAC name of N-[(E)-benzylideneamino]-2-hydroxybenzamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-[(E)-benzylideneamino]-2-hydroxybenzamide;2,2,2-trifluoroacetic acid (CID 57397723) is N-[(E)-benzylideneamino]-2-hydroxybenzamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-[(E)-benzylideneamino]-2-hydroxybenzamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-[(E)-benzylideneamino]-2-hydroxybenzamide;2,2,2-trifluoroacetic acid is O=C(N/N=C/c1ccccc1)c1ccccc1O.O=C(O)C(F)(F)F.
What is the InChIKey of N-[(E)-benzylideneamino]-2-hydroxybenzamide;2,2,2-trifluoroacetic acid?
The InChIKey is OZSCGPAFQWEHFT-GYVLLFFHSA-N. The full InChI is InChI=1S/C14H12N2O2.C2HF3O2/c17-13-9-5-4-8-12(13)14(18)16-15-10-11-6-2-1-3-7-11;3-2(4,5)1(6)7/h1-10,17H,(H,16,18);(H,6,7)/b15-10+;.
What are the key properties of N-[(E)-benzylideneamino]-2-hydroxybenzamide;2,2,2-trifluoroacetic acid?
N-[(E)-benzylideneamino]-2-hydroxybenzamide;2,2,2-trifluoroacetic acid has a molecular weight of 354.28 g/mol, XLogP of 2.79, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-benzylideneamino]-2-hydroxybenzamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 57397723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).