N-[(Z)-1-(4-phenoxyphenyl)ethylideneamino]benzamide

C21H18N2O2 — CID 5418111

IUPACN-[(Z)-1-(4-phenoxyphenyl)ethylideneamino]benzamide
SMILESC/C(=N/NC(=O)c1ccccc1)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C21H18N2O2/c1-16(22-23-21(24)18-8-4-2-5-9-18)17-12-14-20(15-13-17)25-19-10-6-3-7-11-19/h2-15H,1H3,(H,23,24)/b22-16-
InChIKeyJDOYXEJBUPNSQL-JWGURIENSA-N
MW330.39 g/mol
LogP4.63
Rot. Bonds5

About N-[(Z)-1-(4-phenoxyphenyl)ethylideneamino]benzamide

N-[(Z)-1-(4-phenoxyphenyl)ethylideneamino]benzamide (PubChem CID 5418111) has the molecular formula C21H18N2O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is N-[(Z)-1-(4-phenoxyphenyl)ethylideneamino]benzamide.

Molecular Properties

Compound NameN-[(Z)-1-(4-phenoxyphenyl)ethylideneamino]benzamide
PubChem CID5418111
Molecular FormulaC21H18N2O2
Molecular Weight330.39 g/mol
Exact Mass330.14
IUPAC NameN-[(Z)-1-(4-phenoxyphenyl)ethylideneamino]benzamide
SMILESC/C(=N/NC(=O)c1ccccc1)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C21H18N2O2/c1-16(22-23-21(24)18-8-4-2-5-9-18)17-12-14-20(15-13-17)25-19-10-6-3-7-11-19/h2-15H,1H3,(H,23,24)/b22-16-
InChIKeyJDOYXEJBUPNSQL-JWGURIENSA-N
XLogP4.63
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 54.63
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

N-[(Z)-1-phenylethylideneamino]-4-propan-2-yloxybenzamide
CID 9215513
N-[1-(4-ethoxyphenyl)ethylideneamino]benzamide
CID 912000
N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-4-phenylbenzamide
CID 5496134
N-[(E)-1-phenylethylideneamino]-4-prop-2-enoxybenzamide
CID 6232405
4-benzamido-N-[1-(4-methoxyphenyl)ethylideneamino]benzamide
CID 3289478
4-(2-methylpropoxy)-N-(1-phenylethylideneamino)benzamide
CID 4929975
1-methyl-N-[(E)-1-phenylethylideneamino]pyridin-1-ium-4-carboxamide
CID 51056262
4-cyclopentyloxy-N-(1-phenylethylideneamino)benzamide
CID 842328
3-methoxy-N-(1-phenylethylideneamino)benzamide
CID 955694
2-cyano-N-[1-(4-phenoxyphenyl)ethylideneamino]acetamide
CID 5171584
N-[1-(4-ethylphenyl)ethylideneamino]benzamide
CID 5085468
N-[(Z)-1-[4-(2-anilino-2-oxoethoxy)phenyl]ethylideneamino]benzamide
CID 9058750

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(4-phenoxyphenyl)ethylideneamino]benzamide?
The IUPAC name of N-[(Z)-1-(4-phenoxyphenyl)ethylideneamino]benzamide (CID 5418111) is N-[(Z)-1-(4-phenoxyphenyl)ethylideneamino]benzamide.
What is the SMILES notation for N-[(Z)-1-(4-phenoxyphenyl)ethylideneamino]benzamide?
The canonical SMILES for N-[(Z)-1-(4-phenoxyphenyl)ethylideneamino]benzamide is C/C(=N/NC(=O)c1ccccc1)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of N-[(Z)-1-(4-phenoxyphenyl)ethylideneamino]benzamide?
The InChIKey is JDOYXEJBUPNSQL-JWGURIENSA-N. The full InChI is InChI=1S/C21H18N2O2/c1-16(22-23-21(24)18-8-4-2-5-9-18)17-12-14-20(15-13-17)25-19-10-6-3-7-11-19/h2-15H,1H3,(H,23,24)/b22-16-.
What are the key properties of N-[(Z)-1-(4-phenoxyphenyl)ethylideneamino]benzamide?
N-[(Z)-1-(4-phenoxyphenyl)ethylideneamino]benzamide has a molecular weight of 330.39 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(4-phenoxyphenyl)ethylideneamino]benzamide is sourced from PubChem (CID 5418111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).