N-[1-(4-cyanophenyl)ethylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide

C29H23N3O2 — CID 3428420

IUPACN-[1-(4-cyanophenyl)ethylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide
SMILESCC(=NNC(=O)c1ccc(COc2ccccc2-c2ccccc2)cc1)c1ccc(C#N)cc1
InChIInChI=1S/C29H23N3O2/c1-21(24-15-11-22(19-30)12-16-24)31-32-29(33)26-17-13-23(14-18-26)20-34-28-10-6-5-9-27(28)25-7-3-2-4-8-25/h2-18H,20H2,1H3,(H,32,33)
InChIKeyFTVRWBSHSOGWON-UHFFFAOYSA-N
MW445.52 g/mol
LogP5.96
Rot. Bonds7

About N-[1-(4-cyanophenyl)ethylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide

N-[1-(4-cyanophenyl)ethylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide (PubChem CID 3428420) has the molecular formula C29H23N3O2 and a molecular weight of 445.52 g/mol. Its IUPAC name is N-[1-(4-cyanophenyl)ethylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide.

Molecular Properties

Compound NameN-[1-(4-cyanophenyl)ethylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide
PubChem CID3428420
Molecular FormulaC29H23N3O2
Molecular Weight445.52 g/mol
Exact Mass445.18
IUPAC NameN-[1-(4-cyanophenyl)ethylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide
SMILESCC(=NNC(=O)c1ccc(COc2ccccc2-c2ccccc2)cc1)c1ccc(C#N)cc1
InChIInChI=1S/C29H23N3O2/c1-21(24-15-11-22(19-30)12-16-24)31-32-29(33)26-17-13-23(14-18-26)20-34-28-10-6-5-9-27(28)25-7-3-2-4-8-25/h2-18H,20H2,1H3,(H,32,33)
InChIKeyFTVRWBSHSOGWON-UHFFFAOYSA-N
XLogP5.96
TPSA74.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.52
LogP ≤ 55.96
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'}

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Related Compounds

N-[1-(furan-2-yl)ethylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide
CID 3309207
N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-2-(2-phenylphenoxy)acetamide
CID 135609476
2-[(2-chlorophenyl)methoxy]-N-[1-(4-cyanophenyl)ethylideneamino]benzamide
CID 4035879
N-[(E)-1-(4-cyanophenyl)ethylideneamino]-4-propoxybenzamide
CID 133169937
N-[1-(4-bromophenyl)ethylideneamino]-4-phenylmethoxybenzamide
CID 4933030
N-[1-(4-methylphenyl)ethylideneamino]-2-phenylmethoxybenzamide
CID 4937869
1-methyl-3-[[4-[(2-phenylphenoxy)methyl]benzoyl]amino]thiourea
CID 8626379
2-[3-[(Z)-C-methyl-N-[[4-(phenoxymethyl)benzoyl]amino]carbonimidoyl]phenoxy]acetic acid
CID 8518059
4-[[4-(4-cyanophenyl)phenoxy]methyl]-N-phenylbenzamide
CID 7670252
N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide
CID 135607593
N-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide
CID 3944391
N-[1-(4-ethylphenyl)ethylideneamino]benzamide
CID 5085468

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-cyanophenyl)ethylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide?
The IUPAC name of N-[1-(4-cyanophenyl)ethylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide (CID 3428420) is N-[1-(4-cyanophenyl)ethylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide.
What is the SMILES notation for N-[1-(4-cyanophenyl)ethylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide?
The canonical SMILES for N-[1-(4-cyanophenyl)ethylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide is CC(=NNC(=O)c1ccc(COc2ccccc2-c2ccccc2)cc1)c1ccc(C#N)cc1.
What is the InChIKey of N-[1-(4-cyanophenyl)ethylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide?
The InChIKey is FTVRWBSHSOGWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23N3O2/c1-21(24-15-11-22(19-30)12-16-24)31-32-29(33)26-17-13-23(14-18-26)20-34-28-10-6-5-9-27(28)25-7-3-2-4-8-25/h2-18H,20H2,1H3,(H,32,33).
What are the key properties of N-[1-(4-cyanophenyl)ethylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide?
N-[1-(4-cyanophenyl)ethylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide has a molecular weight of 445.52 g/mol, XLogP of 5.96, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-cyanophenyl)ethylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide is sourced from PubChem (CID 3428420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).