[1-[(benzoylhydrazinylidene)methyl]naphthalen-2-yl] benzoate

C25H18N2O3 — CID 3442368

IUPAC[1-[(benzoylhydrazinylidene)methyl]naphthalen-2-yl] benzoate
SMILESO=C(NN=Cc1c(OC(=O)c2ccccc2)ccc2ccccc12)c1ccccc1
InChIInChI=1S/C25H18N2O3/c28-24(19-10-3-1-4-11-19)27-26-17-22-21-14-8-7-9-18(21)15-16-23(22)30-25(29)20-12-5-2-6-13-20/h1-17H,(H,27,28)
InChIKeyMDQRCAWGSZJNMK-UHFFFAOYSA-N
MW394.43 g/mol
LogP4.82
Rot. Bonds5

About [1-[(benzoylhydrazinylidene)methyl]naphthalen-2-yl] benzoate

[1-[(benzoylhydrazinylidene)methyl]naphthalen-2-yl] benzoate (PubChem CID 3442368) has the molecular formula C25H18N2O3 and a molecular weight of 394.43 g/mol. Its IUPAC name is [1-[(benzoylhydrazinylidene)methyl]naphthalen-2-yl] benzoate.

Molecular Properties

Compound Name[1-[(benzoylhydrazinylidene)methyl]naphthalen-2-yl] benzoate
PubChem CID3442368
Molecular FormulaC25H18N2O3
Molecular Weight394.43 g/mol
Exact Mass394.13
IUPAC Name[1-[(benzoylhydrazinylidene)methyl]naphthalen-2-yl] benzoate
SMILESO=C(NN=Cc1c(OC(=O)c2ccccc2)ccc2ccccc12)c1ccccc1
InChIInChI=1S/C25H18N2O3/c28-24(19-10-3-1-4-11-19)27-26-17-22-21-14-8-7-9-18(21)15-16-23(22)30-25(29)20-12-5-2-6-13-20/h1-17H,(H,27,28)
InChIKeyMDQRCAWGSZJNMK-UHFFFAOYSA-N
XLogP4.82
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 54.82
H-Bond Donors ≤ 51
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-[(Z)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] benzoate
CID 6092077
[1-[(Z)-[(4-methoxybenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 4-methoxybenzoate
CID 6186341
[1-[(pyridine-3-carbonylhydrazinylidene)methyl]naphthalen-2-yl] benzoate
CID 4071178
[1-[(Z)-(pyridine-3-carbonylhydrazinylidene)methyl]naphthalen-2-yl] benzoate
CID 6002854
[1-[(thiophene-2-carbonylhydrazinylidene)methyl]naphthalen-2-yl] benzoate
CID 4093667
[1-[[(4-methylbenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 4-methoxybenzoate
CID 3871773
[1-[(E)-[(4-bromobenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 4-chlorobenzoate
CID 45054760
[1-[[(4-hydroxybenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 3-methylbenzoate
CID 5237201
[1-[[(3-methylbenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 4-methoxybenzoate
CID 3714949
[1-[[(4-prop-2-enoxybenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 4-methylbenzoate
CID 4558748
[1-[[(4-prop-2-enoxybenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 4-chlorobenzoate
CID 3857540
[1-[(E)-[[4-[(2,4-dichlorophenyl)methoxy]benzoyl]hydrazinylidene]methyl]naphthalen-2-yl] benzoate
CID 51061902

Frequently Asked Questions

What is the IUPAC name of [1-[(benzoylhydrazinylidene)methyl]naphthalen-2-yl] benzoate?
The IUPAC name of [1-[(benzoylhydrazinylidene)methyl]naphthalen-2-yl] benzoate (CID 3442368) is [1-[(benzoylhydrazinylidene)methyl]naphthalen-2-yl] benzoate.
What is the SMILES notation for [1-[(benzoylhydrazinylidene)methyl]naphthalen-2-yl] benzoate?
The canonical SMILES for [1-[(benzoylhydrazinylidene)methyl]naphthalen-2-yl] benzoate is O=C(NN=Cc1c(OC(=O)c2ccccc2)ccc2ccccc12)c1ccccc1.
What is the InChIKey of [1-[(benzoylhydrazinylidene)methyl]naphthalen-2-yl] benzoate?
The InChIKey is MDQRCAWGSZJNMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N2O3/c28-24(19-10-3-1-4-11-19)27-26-17-22-21-14-8-7-9-18(21)15-16-23(22)30-25(29)20-12-5-2-6-13-20/h1-17H,(H,27,28).
What are the key properties of [1-[(benzoylhydrazinylidene)methyl]naphthalen-2-yl] benzoate?
[1-[(benzoylhydrazinylidene)methyl]naphthalen-2-yl] benzoate has a molecular weight of 394.43 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(benzoylhydrazinylidene)methyl]naphthalen-2-yl] benzoate is sourced from PubChem (CID 3442368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).