N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-3-(trifluoromethyl)benzamide

C19H13F3N2O2 — CID 135517033

IUPACN-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-3-(trifluoromethyl)benzamide
SMILESO=C(N/N=C/c1c(O)ccc2ccccc12)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H13F3N2O2/c20-19(21,22)14-6-3-5-13(10-14)18(26)24-23-11-16-15-7-2-1-4-12(15)8-9-17(16)25/h1-11,25H,(H,24,26)/b23-11+
InChIKeyPRJBGDGFYLVJNS-FOKLQQMPSA-N
MW358.32 g/mol
LogP4.33
Rot. Bonds3

About N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-3-(trifluoromethyl)benzamide

N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-3-(trifluoromethyl)benzamide (PubChem CID 135517033) has the molecular formula C19H13F3N2O2 and a molecular weight of 358.32 g/mol. Its IUPAC name is N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-3-(trifluoromethyl)benzamide
PubChem CID135517033
Molecular FormulaC19H13F3N2O2
Molecular Weight358.32 g/mol
Exact Mass358.09
IUPAC NameN-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-3-(trifluoromethyl)benzamide
SMILESO=C(N/N=C/c1c(O)ccc2ccccc12)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H13F3N2O2/c20-19(21,22)14-6-3-5-13(10-14)18(26)24-23-11-16-15-7-2-1-4-12(15)8-9-17(16)25/h1-11,25H,(H,24,26)/b23-11+
InChIKeyPRJBGDGFYLVJNS-FOKLQQMPSA-N
XLogP4.33
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.32
LogP ≤ 54.33
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Dynasore
CID 135533054
4-chloro-N'-[(E)-(2-hydroxynaphthalen-1-yl)methylidene]benzohydrazide
CID 135497917
N'-cyclohexylidene-3-hydroxynaphthalene-2-carbohydrazide
CID 795531
2-Hydroxy-1-naphthylaldehyde 3-fluorobenzoylhydrazone
CID 135412822
2-Hydroxy-1-naphthalaldehyde salicyloylhydrazone
CID 135458654
4-Methylbenzoic (2-hydroxy-1-naphthylmethylene)hydrazide
CID 135407190
N'-(1,3-dimethylbutylidene)-3-hydroxy-2-naphthohydrazide
CID 5779530
N'-[(2-methoxy-1-naphthyl)methylene]-4-biphenylcarbohydrazide
CID 5332319
N'-cycloheptylidene-3-hydroxynaphthalene-2-carbohydrazide
CID 3623129
4-hydroxy-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]benzamide
CID 6906200
2-Fluoro-benzoic acid (2-methoxy-naphthalen-1-ylmethylene)-hydrazide
CID 6907975
4-hydroxy-N'-[(2-hydroxy-1-naphthyl)methylene]benzohydrazide
CID 135400287

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-3-(trifluoromethyl)benzamide (CID 135517033) is N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-3-(trifluoromethyl)benzamide is O=C(N/N=C/c1c(O)ccc2ccccc12)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-3-(trifluoromethyl)benzamide?
The InChIKey is PRJBGDGFYLVJNS-FOKLQQMPSA-N. The full InChI is InChI=1S/C19H13F3N2O2/c20-19(21,22)14-6-3-5-13(10-14)18(26)24-23-11-16-15-7-2-1-4-12(15)8-9-17(16)25/h1-11,25H,(H,24,26)/b23-11+.
What are the key properties of N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-3-(trifluoromethyl)benzamide?
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-3-(trifluoromethyl)benzamide has a molecular weight of 358.32 g/mol, XLogP of 4.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 135517033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).