[8-(benzylideneamino)naphthalen-2-yl] benzoate

C24H17NO2 — CID 91406545

IUPAC[8-(benzylideneamino)naphthalen-2-yl] benzoate
SMILESO=C(Oc1ccc2cccc(/N=C/c3ccccc3)c2c1)c1ccccc1
InChIInChI=1S/C24H17NO2/c26-24(20-10-5-2-6-11-20)27-21-15-14-19-12-7-13-23(22(19)16-21)25-17-18-8-3-1-4-9-18/h1-17H/b25-17+
InChIKeyAFUPVYVTAXIPML-KOEQRZSOSA-N
MW351.41 g/mol
LogP5.81
Rot. Bonds4

About [8-(benzylideneamino)naphthalen-2-yl] benzoate

[8-(benzylideneamino)naphthalen-2-yl] benzoate (PubChem CID 91406545) has the molecular formula C24H17NO2 and a molecular weight of 351.41 g/mol. Its IUPAC name is [8-(benzylideneamino)naphthalen-2-yl] benzoate.

Molecular Properties

Compound Name[8-(benzylideneamino)naphthalen-2-yl] benzoate
PubChem CID91406545
Molecular FormulaC24H17NO2
Molecular Weight351.41 g/mol
Exact Mass351.13
IUPAC Name[8-(benzylideneamino)naphthalen-2-yl] benzoate
SMILESO=C(Oc1ccc2cccc(/N=C/c3ccccc3)c2c1)c1ccccc1
InChIInChI=1S/C24H17NO2/c26-24(20-10-5-2-6-11-20)27-21-15-14-19-12-7-13-23(22(19)16-21)25-17-18-8-3-1-4-9-18/h1-17H/b25-17+
InChIKeyAFUPVYVTAXIPML-KOEQRZSOSA-N
XLogP5.81
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.41
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[4-[(1-sulfanylnaphthalen-2-yl)iminomethyl]phenyl] 4-pentoxybenzoate
CID 100955621
[4-(hydroxyiminomethyl)phenyl] benzoate
CID 880956
[3-[(E)-2-[1-[2-[(E)-2-[3-(4-methoxybenzoyl)oxyphenyl]ethenyl]naphthalen-1-yl]naphthalen-2-yl]ethenyl]phenyl] 4-methoxybenzoate
CID 162498616
(3-ethenylphenyl) benzoate
CID 18762156
[4-[(2-bromophenyl)iminomethyl]phenyl] 4-propoxybenzoate
CID 101016329
[4-[(4-chlorophenyl)iminomethyl]phenyl] benzoate
CID 691027
N-naphthalen-1-yl-1-[4-(naphthalen-1-yliminomethyl)phenyl]methanimine
CID 3811018
[4-(naphthalen-2-yliminomethyl)phenyl] 4-tetradecoxybenzoate
CID 100955615
[4-[[[6-[2-[(4-benzoyloxyphenyl)methylidene]hydrazinyl]-6-oxohexanoyl]hydrazinylidene]methyl]phenyl] benzoate
CID 4631127
CID 70139665
CID 70139665
(3-butanoylphenyl) benzoate
CID 141249962
[4-[(Z)-[[3-[(2Z)-2-[(4-benzoyloxyphenyl)methylidene]hydrazinyl]-3-oxopropanoyl]hydrazinylidene]methyl]phenyl] benzoate
CID 6088439

Frequently Asked Questions

What is the IUPAC name of [8-(benzylideneamino)naphthalen-2-yl] benzoate?
The IUPAC name of [8-(benzylideneamino)naphthalen-2-yl] benzoate (CID 91406545) is [8-(benzylideneamino)naphthalen-2-yl] benzoate.
What is the SMILES notation for [8-(benzylideneamino)naphthalen-2-yl] benzoate?
The canonical SMILES for [8-(benzylideneamino)naphthalen-2-yl] benzoate is O=C(Oc1ccc2cccc(/N=C/c3ccccc3)c2c1)c1ccccc1.
What is the InChIKey of [8-(benzylideneamino)naphthalen-2-yl] benzoate?
The InChIKey is AFUPVYVTAXIPML-KOEQRZSOSA-N. The full InChI is InChI=1S/C24H17NO2/c26-24(20-10-5-2-6-11-20)27-21-15-14-19-12-7-13-23(22(19)16-21)25-17-18-8-3-1-4-9-18/h1-17H/b25-17+.
What are the key properties of [8-(benzylideneamino)naphthalen-2-yl] benzoate?
[8-(benzylideneamino)naphthalen-2-yl] benzoate has a molecular weight of 351.41 g/mol, XLogP of 5.81, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(benzylideneamino)naphthalen-2-yl] benzoate is sourced from PubChem (CID 91406545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).