3-fluoro-N-[(E)-(6-hydroxy-7-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]benzamide

C18H17FN2O2 — CID 135438759

IUPAC3-fluoro-N-[(E)-(6-hydroxy-7-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]benzamide
SMILESCc1cc2c(cc1O)CCC/C2=N\NC(=O)c1cccc(F)c1
InChIInChI=1S/C18H17FN2O2/c1-11-8-15-12(10-17(11)22)4-3-7-16(15)20-21-18(23)13-5-2-6-14(19)9-13/h2,5-6,8-10,22H,3-4,7H2,1H3,(H,21,23)/b20-16+
InChIKeyVOQNOVXOIADBON-CAPFRKAQSA-N
MW312.34 g/mol
LogP3.31
Rot. Bonds2

About 3-fluoro-N-[(E)-(6-hydroxy-7-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]benzamide

3-fluoro-N-[(E)-(6-hydroxy-7-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]benzamide (PubChem CID 135438759) has the molecular formula C18H17FN2O2 and a molecular weight of 312.34 g/mol. Its IUPAC name is 3-fluoro-N-[(E)-(6-hydroxy-7-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[(E)-(6-hydroxy-7-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]benzamide
PubChem CID135438759
Molecular FormulaC18H17FN2O2
Molecular Weight312.34 g/mol
Exact Mass312.13
IUPAC Name3-fluoro-N-[(E)-(6-hydroxy-7-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]benzamide
SMILESCc1cc2c(cc1O)CCC/C2=N\NC(=O)c1cccc(F)c1
InChIInChI=1S/C18H17FN2O2/c1-11-8-15-12(10-17(11)22)4-3-7-16(15)20-21-18(23)13-5-2-6-14(19)9-13/h2,5-6,8-10,22H,3-4,7H2,1H3,(H,21,23)/b20-16+
InChIKeyVOQNOVXOIADBON-CAPFRKAQSA-N
XLogP3.31
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', '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

4-(4-hydroxy-3,5-dimethylphenyl)-2-methylphthalazin-1(2H)-one
CID 624420
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'-cycloheptylidene-3-hydroxynaphthalene-2-carbohydrazide
CID 3623129
N'-[(1Z)-1-(3-hydroxyphenyl)ethylidene]biphenyl-4-carbohydrazide
CID 6081739
N'-bicyclo[2.2.1]hept-2-ylidene-3-hydroxy-2-naphthohydrazide
CID 9670172
N-[(E)-(5,7-dimethyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-4-hydroxybenzamide
CID 9684188
4-hydroxy-N'-[(2-hydroxy-1-naphthyl)methylene]benzohydrazide
CID 135400287
Naphthalene-1-carboxylic acid (2-hydroxy-benzylidene)-hydrazide
CID 135400487

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[(E)-(6-hydroxy-7-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]benzamide?
The IUPAC name of 3-fluoro-N-[(E)-(6-hydroxy-7-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]benzamide (CID 135438759) is 3-fluoro-N-[(E)-(6-hydroxy-7-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]benzamide.
What is the SMILES notation for 3-fluoro-N-[(E)-(6-hydroxy-7-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]benzamide?
The canonical SMILES for 3-fluoro-N-[(E)-(6-hydroxy-7-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]benzamide is Cc1cc2c(cc1O)CCC/C2=N\NC(=O)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[(E)-(6-hydroxy-7-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]benzamide?
The InChIKey is VOQNOVXOIADBON-CAPFRKAQSA-N. The full InChI is InChI=1S/C18H17FN2O2/c1-11-8-15-12(10-17(11)22)4-3-7-16(15)20-21-18(23)13-5-2-6-14(19)9-13/h2,5-6,8-10,22H,3-4,7H2,1H3,(H,21,23)/b20-16+.
What are the key properties of 3-fluoro-N-[(E)-(6-hydroxy-7-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]benzamide?
3-fluoro-N-[(E)-(6-hydroxy-7-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]benzamide has a molecular weight of 312.34 g/mol, XLogP of 3.31, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[(E)-(6-hydroxy-7-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]benzamide is sourced from PubChem (CID 135438759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).