N-[(Z)-benzylideneamino]-4-phenylmethoxybenzamide

C21H18N2O2 — CID 5401763

IUPACN-[(Z)-benzylideneamino]-4-phenylmethoxybenzamide
SMILESO=C(N/N=C\c1ccccc1)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C21H18N2O2/c24-21(23-22-15-17-7-3-1-4-8-17)19-11-13-20(14-12-19)25-16-18-9-5-2-6-10-18/h1-15H,16H2,(H,23,24)/b22-15-
InChIKeyQCACHESLGOOCFX-JCMHNJIXSA-N
MW330.39 g/mol
LogP4.03
Rot. Bonds6

About N-[(Z)-benzylideneamino]-4-phenylmethoxybenzamide

N-[(Z)-benzylideneamino]-4-phenylmethoxybenzamide (PubChem CID 5401763) has the molecular formula C21H18N2O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is N-[(Z)-benzylideneamino]-4-phenylmethoxybenzamide.

Molecular Properties

Compound NameN-[(Z)-benzylideneamino]-4-phenylmethoxybenzamide
PubChem CID5401763
Molecular FormulaC21H18N2O2
Molecular Weight330.39 g/mol
Exact Mass330.14
IUPAC NameN-[(Z)-benzylideneamino]-4-phenylmethoxybenzamide
SMILESO=C(N/N=C\c1ccccc1)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C21H18N2O2/c24-21(23-22-15-17-7-3-1-4-8-17)19-11-13-20(14-12-19)25-16-18-9-5-2-6-10-18/h1-15H,16H2,(H,23,24)/b22-15-
InChIKeyQCACHESLGOOCFX-JCMHNJIXSA-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-methoxy-N-[(4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 584913
N-(benzylideneamino)-4-[(4-bromophenyl)methoxy]benzamide
CID 171131767
4-chloro-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6117105
N-[(4-methylphenyl)methylideneamino]-4-phenylmethoxybenzamide
CID 4932926
N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-4-propoxybenzamide
CID 92658826
N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 6868906
N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-4-phenylmethoxybenzamide
CID 6234024
N-[(3-methylphenyl)methylideneamino]-4-phenylmethoxybenzamide
CID 4932966
N-[[4-(dimethylamino)phenyl]methylideneamino]-4-phenylmethoxybenzamide
CID 4932922
2-[4-[(Z)-[[4-(phenoxymethyl)benzoyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 8518057
N-[[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 573095
N-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 6046963

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-benzylideneamino]-4-phenylmethoxybenzamide?
The IUPAC name of N-[(Z)-benzylideneamino]-4-phenylmethoxybenzamide (CID 5401763) is N-[(Z)-benzylideneamino]-4-phenylmethoxybenzamide.
What is the SMILES notation for N-[(Z)-benzylideneamino]-4-phenylmethoxybenzamide?
The canonical SMILES for N-[(Z)-benzylideneamino]-4-phenylmethoxybenzamide is O=C(N/N=C\c1ccccc1)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of N-[(Z)-benzylideneamino]-4-phenylmethoxybenzamide?
The InChIKey is QCACHESLGOOCFX-JCMHNJIXSA-N. The full InChI is InChI=1S/C21H18N2O2/c24-21(23-22-15-17-7-3-1-4-8-17)19-11-13-20(14-12-19)25-16-18-9-5-2-6-10-18/h1-15H,16H2,(H,23,24)/b22-15-.
What are the key properties of N-[(Z)-benzylideneamino]-4-phenylmethoxybenzamide?
N-[(Z)-benzylideneamino]-4-phenylmethoxybenzamide 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-[(Z)-benzylideneamino]-4-phenylmethoxybenzamide is sourced from PubChem (CID 5401763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).