methyl 2-(2,2-diphenylethylideneamino)benzoate

C22H19NO2 — CID 54471111

IUPACmethyl 2-(2,2-diphenylethylideneamino)benzoate
SMILESCOC(=O)c1ccccc1/N=C/C(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H19NO2/c1-25-22(24)19-14-8-9-15-21(19)23-16-20(17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2-16,20H,1H3/b23-16+
InChIKeyXIKXLQMUNBQVFN-XQNSMLJCSA-N
MW329.40 g/mol
LogP5.01
Rot. Bonds5

About methyl 2-(2,2-diphenylethylideneamino)benzoate

methyl 2-(2,2-diphenylethylideneamino)benzoate (PubChem CID 54471111) has the molecular formula C22H19NO2 and a molecular weight of 329.40 g/mol. Its IUPAC name is methyl 2-(2,2-diphenylethylideneamino)benzoate.

Molecular Properties

Compound Namemethyl 2-(2,2-diphenylethylideneamino)benzoate
PubChem CID54471111
Molecular FormulaC22H19NO2
Molecular Weight329.40 g/mol
Exact Mass329.14
IUPAC Namemethyl 2-(2,2-diphenylethylideneamino)benzoate
SMILESCOC(=O)c1ccccc1/N=C/C(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H19NO2/c1-25-22(24)19-14-8-9-15-21(19)23-16-20(17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2-16,20H,1H3/b23-16+
InChIKeyXIKXLQMUNBQVFN-XQNSMLJCSA-N
XLogP5.01
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.40
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl 2-(2,2-diphenylethylideneamino)benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[[(2R)-3-(4-methoxyphenyl)-2-methylpropylidene]amino]benzoate
CID 129361915
methyl 2-[(cyanoamino)methylideneamino]benzoate
CID 12683019
methyl 2-[3-(4-propan-2-ylphenyl)butylideneamino]benzoate
CID 133112742
di(113C)methyl benzene-1,2-dicarboxylate
CID 131668060
methyl 2-[(10-hydroxyphenanthren-9-yl)methylideneamino]benzoate
CID 135613003
methyl 2-[[(E)-2-ethoxycarbonyl-4,4,4-trifluoro-3-hydroxybut-2-enylidene]amino]benzoate
CID 135410048
dimethyl benzene-1,2-dicarboxylate;methane
CID 161056666
methyl 2-[(2-nitrophenyl)methylideneamino]benzoate
CID 11055192
methyl 2-[[(2Z)-4,4,4-trifluoro-2-[hydroxy-(4-methylphenyl)methylidene]-3-oxobutylidene]amino]benzoate
CID 135449885
methyl 2-[[3-(4-methoxyphenyl)-3-oxopropylidene]amino]benzoate
CID 4062869
methyl 2-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methylideneamino]benzoate
CID 137068992
methyl 2-[(1-hydroxy-3-oxo-3-phenylprop-1-en-2-yl)diazenyl]benzoate
CID 136870839

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,2-diphenylethylideneamino)benzoate?
The IUPAC name of methyl 2-(2,2-diphenylethylideneamino)benzoate (CID 54471111) is methyl 2-(2,2-diphenylethylideneamino)benzoate.
What is the SMILES notation for methyl 2-(2,2-diphenylethylideneamino)benzoate?
The canonical SMILES for methyl 2-(2,2-diphenylethylideneamino)benzoate is COC(=O)c1ccccc1/N=C/C(c1ccccc1)c1ccccc1.
What is the InChIKey of methyl 2-(2,2-diphenylethylideneamino)benzoate?
The InChIKey is XIKXLQMUNBQVFN-XQNSMLJCSA-N. The full InChI is InChI=1S/C22H19NO2/c1-25-22(24)19-14-8-9-15-21(19)23-16-20(17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2-16,20H,1H3/b23-16+.
What are the key properties of methyl 2-(2,2-diphenylethylideneamino)benzoate?
methyl 2-(2,2-diphenylethylideneamino)benzoate has a molecular weight of 329.40 g/mol, XLogP of 5.01, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,2-diphenylethylideneamino)benzoate is sourced from PubChem (CID 54471111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).