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

C18H13FN2O2 — CID 135412822

IUPAC3-fluoro-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
SMILESO=C(N/N=C/c1c(O)ccc2ccccc12)c1cccc(F)c1
InChIInChI=1S/C18H13FN2O2/c19-14-6-3-5-13(10-14)18(23)21-20-11-16-15-7-2-1-4-12(15)8-9-17(16)22/h1-11,22H,(H,21,23)/b20-11+
InChIKeyKJOAGKHCMUAYFX-RGVLZGJSSA-N
MW308.31 g/mol
LogP3.45
Rot. Bonds3

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

3-fluoro-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide (PubChem CID 135412822) has the molecular formula C18H13FN2O2 and a molecular weight of 308.31 g/mol. Its IUPAC name is 3-fluoro-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
PubChem CID135412822
Molecular FormulaC18H13FN2O2
Molecular Weight308.31 g/mol
Exact Mass308.10
IUPAC Name3-fluoro-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
SMILESO=C(N/N=C/c1c(O)ccc2ccccc12)c1cccc(F)c1
InChIInChI=1S/C18H13FN2O2/c19-14-6-3-5-13(10-14)18(23)21-20-11-16-15-7-2-1-4-12(15)8-9-17(16)22/h1-11,22H,(H,21,23)/b20-11+
InChIKeyKJOAGKHCMUAYFX-RGVLZGJSSA-N
XLogP3.45
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.31
LogP ≤ 53.45
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-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
2-Fluoro-benzoic acid (2-methoxy-naphthalen-1-ylmethylene)-hydrazide
CID 6907975
4-hydroxy-N'-[(2-hydroxy-1-naphthyl)methylene]benzohydrazide
CID 135400287
Naphthalene-1-carboxylic acid (2-hydroxy-benzylidene)-hydrazide
CID 135400487
3-Fluoro-4-hydroxy-benzoic acid (4-hydroxymethyl-naphthalen-1-ylmethylene)-hydrazide
CID 11024220

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide?
The IUPAC name of 3-fluoro-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide (CID 135412822) is 3-fluoro-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide.
What is the SMILES notation for 3-fluoro-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide?
The canonical SMILES for 3-fluoro-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide is O=C(N/N=C/c1c(O)ccc2ccccc12)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide?
The InChIKey is KJOAGKHCMUAYFX-RGVLZGJSSA-N. The full InChI is InChI=1S/C18H13FN2O2/c19-14-6-3-5-13(10-14)18(23)21-20-11-16-15-7-2-1-4-12(15)8-9-17(16)22/h1-11,22H,(H,21,23)/b20-11+.
What are the key properties of 3-fluoro-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide?
3-fluoro-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide has a molecular weight of 308.31 g/mol, XLogP of 3.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide is sourced from PubChem (CID 135412822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).