N-[(E)-[2-(phenoxymethyl)phenyl]methylideneamino]benzamide

C21H18N2O2 — CID 110507196

IUPACN-[(E)-[2-(phenoxymethyl)phenyl]methylideneamino]benzamide
SMILESO=C(N/N=C/c1ccccc1COc1ccccc1)c1ccccc1
InChIInChI=1S/C21H18N2O2/c24-21(17-9-3-1-4-10-17)23-22-15-18-11-7-8-12-19(18)16-25-20-13-5-2-6-14-20/h1-15H,16H2,(H,23,24)/b22-15+
InChIKeyXVEJRDIBWGPADW-PXLXIMEGSA-N
MW330.39 g/mol
LogP4.03
Rot. Bonds6

About N-[(E)-[2-(phenoxymethyl)phenyl]methylideneamino]benzamide

N-[(E)-[2-(phenoxymethyl)phenyl]methylideneamino]benzamide (PubChem CID 110507196) has the molecular formula C21H18N2O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is N-[(E)-[2-(phenoxymethyl)phenyl]methylideneamino]benzamide.

Molecular Properties

Compound NameN-[(E)-[2-(phenoxymethyl)phenyl]methylideneamino]benzamide
PubChem CID110507196
Molecular FormulaC21H18N2O2
Molecular Weight330.39 g/mol
Exact Mass330.14
IUPAC NameN-[(E)-[2-(phenoxymethyl)phenyl]methylideneamino]benzamide
SMILESO=C(N/N=C/c1ccccc1COc1ccccc1)c1ccccc1
InChIInChI=1S/C21H18N2O2/c24-21(17-9-3-1-4-10-17)23-22-15-18-11-7-8-12-19(18)16-25-20-13-5-2-6-14-20/h1-15H,16H2,(H,23,24)/b22-15+
InChIKeyXVEJRDIBWGPADW-PXLXIMEGSA-N
XLogP4.03
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-[(Z)-[2-(phenoxymethyl)phenyl]methylideneamino]benzamide
CID 110509126
N-[(E)-[2-(phenoxymethyl)phenyl]methylideneamino]pentanamide
CID 110506844
N-[(Z)-[2-[(3-chlorophenoxy)methyl]phenyl]methylideneamino]-3-methoxybenzamide
CID 126085873
N-[(2-methylphenyl)methylideneamino]-4-phenylmethoxybenzamide
CID 4932964
2-[2-[(Z)-[[4-(phenoxymethyl)benzoyl]hydrazinylidene]methyl]phenoxy]acetate
CID 8518215
6-[(2E)-2-[[2-(phenoxymethyl)phenyl]methylidene]hydrazinyl]pyridine-3-carboxylic acid
CID 110505721
4-[(4-chlorophenyl)methoxy]-N-[(Z)-[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 6051853
N-[(Z)-benzylideneamino]-4-phenylmethoxybenzamide
CID 5401763
[[2-[(4-fluorophenoxy)methyl]phenyl]methylideneamino]thiourea
CID 168534550
N-[(Z)-(2,5-dimethylphenyl)methylideneamino]-4-(phenoxymethyl)benzamide
CID 8518266
N-[[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 573095
2-[[2-(phenoxymethyl)phenyl]methylideneamino]guanidine
CID 168591467

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[2-(phenoxymethyl)phenyl]methylideneamino]benzamide?
The IUPAC name of N-[(E)-[2-(phenoxymethyl)phenyl]methylideneamino]benzamide (CID 110507196) is N-[(E)-[2-(phenoxymethyl)phenyl]methylideneamino]benzamide.
What is the SMILES notation for N-[(E)-[2-(phenoxymethyl)phenyl]methylideneamino]benzamide?
The canonical SMILES for N-[(E)-[2-(phenoxymethyl)phenyl]methylideneamino]benzamide is O=C(N/N=C/c1ccccc1COc1ccccc1)c1ccccc1.
What is the InChIKey of N-[(E)-[2-(phenoxymethyl)phenyl]methylideneamino]benzamide?
The InChIKey is XVEJRDIBWGPADW-PXLXIMEGSA-N. The full InChI is InChI=1S/C21H18N2O2/c24-21(17-9-3-1-4-10-17)23-22-15-18-11-7-8-12-19(18)16-25-20-13-5-2-6-14-20/h1-15H,16H2,(H,23,24)/b22-15+.
What are the key properties of N-[(E)-[2-(phenoxymethyl)phenyl]methylideneamino]benzamide?
N-[(E)-[2-(phenoxymethyl)phenyl]methylideneamino]benzamide has a molecular weight of 330.39 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[2-(phenoxymethyl)phenyl]methylideneamino]benzamide is sourced from PubChem (CID 110507196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).