N-[(4-cyanophenyl)methylideneamino]-4-phenylbenzamide

C21H15N3O — CID 681341

IUPACN-[(4-cyanophenyl)methylideneamino]-4-phenylbenzamide
SMILESN#Cc1ccc(C=NNC(=O)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C21H15N3O/c22-14-16-6-8-17(9-7-16)15-23-24-21(25)20-12-10-19(11-13-20)18-4-2-1-3-5-18/h1-13,15H,(H,24,25)
InChIKeyJRRJJKCKHQCOBQ-UHFFFAOYSA-N
MW325.37 g/mol
LogP3.99
Rot. Bonds4

About N-[(4-cyanophenyl)methylideneamino]-4-phenylbenzamide

N-[(4-cyanophenyl)methylideneamino]-4-phenylbenzamide (PubChem CID 681341) has the molecular formula C21H15N3O and a molecular weight of 325.37 g/mol. Its IUPAC name is N-[(4-cyanophenyl)methylideneamino]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[(4-cyanophenyl)methylideneamino]-4-phenylbenzamide
PubChem CID681341
Molecular FormulaC21H15N3O
Molecular Weight325.37 g/mol
Exact Mass325.12
IUPAC NameN-[(4-cyanophenyl)methylideneamino]-4-phenylbenzamide
SMILESN#Cc1ccc(C=NNC(=O)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C21H15N3O/c22-14-16-6-8-17(9-7-16)15-23-24-21(25)20-12-10-19(11-13-20)18-4-2-1-3-5-18/h1-13,15H,(H,24,25)
InChIKeyJRRJJKCKHQCOBQ-UHFFFAOYSA-N
XLogP3.99
TPSA65.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 53.99
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'}

Analyze N-[(4-cyanophenyl)methylideneamino]-4-phenylbenzamide 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

N-[(Z)-(4-hydroxyphenyl)methylideneamino]-4-phenylbenzamide
CID 136661498
4-acetamido-N-[(Z)-(4-cyanophenyl)methylideneamino]benzamide
CID 5417686
N-[(Z)-(4-cyanophenyl)methylideneamino]-4-nitrobenzamide
CID 5373177
N-[(Z)-[5-(4-cyanophenyl)furan-2-yl]methylideneamino]benzamide
CID 126020827
[[4-(4-cyanophenyl)phenyl]methylideneamino]urea
CID 168532335
N-[4-[[(4-cyanophenyl)methylideneamino]carbamoyl]phenyl]-2-methylbenzamide
CID 3376598
4-[3-(hydroxyamino)-3-oxoprop-1-enyl]-N-[(4-phenylphenyl)methylideneamino]benzamide
CID 123393502
4-N-hydroxy-1-N-[(E)-[4-[4-[(E)-[[4-(hydroxycarbamoyl)benzoyl]hydrazinylidene]methyl]phenyl]phenyl]methylideneamino]benzene-1,4-dicarboxamide
CID 135613044
N-[(E)-(4-cyanophenyl)methylideneamino]pyridine-3-carboxamide
CID 6895632
N-[(4-cyanophenyl)methylideneamino]-4-(cyclopropanecarbonylamino)benzamide
CID 920978
N-[[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-4-phenylbenzamide
CID 24819612
N-[(Z)-N'-[(E)-(4-chlorophenyl)methylideneamino]-N-[(E)-(4-cyanophenyl)methylideneamino]carbamimidoyl]benzamide
CID 135834222

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyanophenyl)methylideneamino]-4-phenylbenzamide?
The IUPAC name of N-[(4-cyanophenyl)methylideneamino]-4-phenylbenzamide (CID 681341) is N-[(4-cyanophenyl)methylideneamino]-4-phenylbenzamide.
What is the SMILES notation for N-[(4-cyanophenyl)methylideneamino]-4-phenylbenzamide?
The canonical SMILES for N-[(4-cyanophenyl)methylideneamino]-4-phenylbenzamide is N#Cc1ccc(C=NNC(=O)c2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of N-[(4-cyanophenyl)methylideneamino]-4-phenylbenzamide?
The InChIKey is JRRJJKCKHQCOBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3O/c22-14-16-6-8-17(9-7-16)15-23-24-21(25)20-12-10-19(11-13-20)18-4-2-1-3-5-18/h1-13,15H,(H,24,25).
What are the key properties of N-[(4-cyanophenyl)methylideneamino]-4-phenylbenzamide?
N-[(4-cyanophenyl)methylideneamino]-4-phenylbenzamide has a molecular weight of 325.37 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyanophenyl)methylideneamino]-4-phenylbenzamide is sourced from PubChem (CID 681341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).