[1-[(E)-[methyl(phenyl)hydrazinylidene]methyl]naphthalen-2-yl] benzoate

C25H20N2O2 — CID 56688795

IUPAC[1-[(E)-[methyl(phenyl)hydrazinylidene]methyl]naphthalen-2-yl] benzoate
SMILESCN(/N=C/c1c(OC(=O)c2ccccc2)ccc2ccccc12)c1ccccc1
InChIInChI=1S/C25H20N2O2/c1-27(21-13-6-3-7-14-21)26-18-23-22-15-9-8-10-19(22)16-17-24(23)29-25(28)20-11-4-2-5-12-20/h2-18H,1H3/b26-18+
InChIKeyRLBJIXOIAZOICZ-NLRVBDNBSA-N
MW380.45 g/mol
LogP5.53
Rot. Bonds5

About [1-[(E)-[methyl(phenyl)hydrazinylidene]methyl]naphthalen-2-yl] benzoate

[1-[(E)-[methyl(phenyl)hydrazinylidene]methyl]naphthalen-2-yl] benzoate (PubChem CID 56688795) has the molecular formula C25H20N2O2 and a molecular weight of 380.45 g/mol. Its IUPAC name is [1-[(E)-[methyl(phenyl)hydrazinylidene]methyl]naphthalen-2-yl] benzoate.

Molecular Properties

Compound Name[1-[(E)-[methyl(phenyl)hydrazinylidene]methyl]naphthalen-2-yl] benzoate
PubChem CID56688795
Molecular FormulaC25H20N2O2
Molecular Weight380.45 g/mol
Exact Mass380.15
IUPAC Name[1-[(E)-[methyl(phenyl)hydrazinylidene]methyl]naphthalen-2-yl] benzoate
SMILESCN(/N=C/c1c(OC(=O)c2ccccc2)ccc2ccccc12)c1ccccc1
InChIInChI=1S/C25H20N2O2/c1-27(21-13-6-3-7-14-21)26-18-23-22-15-9-8-10-19(22)16-17-24(23)29-25(28)20-11-4-2-5-12-20/h2-18H,1H3/b26-18+
InChIKeyRLBJIXOIAZOICZ-NLRVBDNBSA-N
XLogP5.53
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.45
LogP ≤ 55.53
H-Bond Donors ≤ 50
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'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[1-[(benzoylhydrazinylidene)methyl]naphthalen-2-yl] benzoate
CID 3442368
1-[(E)-[methyl(phenyl)hydrazinylidene]methyl]naphthalen-2-ol
CID 135458877
[1-[(Z)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] benzoate
CID 6092077
[1-[(Z)-(phenylhydrazinylidene)methyl]naphthalen-2-yl] 4-chlorobenzoate
CID 6031687
[1-[[[2-(2-chloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]naphthalen-2-yl] benzoate
CID 4988775
[1-[(2-naphthalen-2-yloxypropanoylhydrazinylidene)methyl]naphthalen-2-yl] benzoate
CID 4152788
[1-[(Z)-(pyridine-3-carbonylhydrazinylidene)methyl]naphthalen-2-yl] benzoate
CID 6002854
[1-[(pyridine-3-carbonylhydrazinylidene)methyl]naphthalen-2-yl] benzoate
CID 4071178
[1-[(thiophene-2-carbonylhydrazinylidene)methyl]naphthalen-2-yl] benzoate
CID 4093667
[1-[(Z)-[(4-methoxybenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 4-methoxybenzoate
CID 6186341
(1-formylnaphthalen-2-yl) 4-methoxybenzoate
CID 4778907
[1-[(Z)-[[2-(tetradecanoylamino)acetyl]hydrazinylidene]methyl]naphthalen-2-yl] benzoate
CID 98298390

Frequently Asked Questions

What is the IUPAC name of [1-[(E)-[methyl(phenyl)hydrazinylidene]methyl]naphthalen-2-yl] benzoate?
The IUPAC name of [1-[(E)-[methyl(phenyl)hydrazinylidene]methyl]naphthalen-2-yl] benzoate (CID 56688795) is [1-[(E)-[methyl(phenyl)hydrazinylidene]methyl]naphthalen-2-yl] benzoate.
What is the SMILES notation for [1-[(E)-[methyl(phenyl)hydrazinylidene]methyl]naphthalen-2-yl] benzoate?
The canonical SMILES for [1-[(E)-[methyl(phenyl)hydrazinylidene]methyl]naphthalen-2-yl] benzoate is CN(/N=C/c1c(OC(=O)c2ccccc2)ccc2ccccc12)c1ccccc1.
What is the InChIKey of [1-[(E)-[methyl(phenyl)hydrazinylidene]methyl]naphthalen-2-yl] benzoate?
The InChIKey is RLBJIXOIAZOICZ-NLRVBDNBSA-N. The full InChI is InChI=1S/C25H20N2O2/c1-27(21-13-6-3-7-14-21)26-18-23-22-15-9-8-10-19(22)16-17-24(23)29-25(28)20-11-4-2-5-12-20/h2-18H,1H3/b26-18+.
What are the key properties of [1-[(E)-[methyl(phenyl)hydrazinylidene]methyl]naphthalen-2-yl] benzoate?
[1-[(E)-[methyl(phenyl)hydrazinylidene]methyl]naphthalen-2-yl] benzoate has a molecular weight of 380.45 g/mol, XLogP of 5.53, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(E)-[methyl(phenyl)hydrazinylidene]methyl]naphthalen-2-yl] benzoate is sourced from PubChem (CID 56688795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).