4-phenyl-N-[(Z)-(2,4,6-trimethylphenyl)methylideneamino]benzamide

C23H22N2O — CID 6132987

IUPAC4-phenyl-N-[(Z)-(2,4,6-trimethylphenyl)methylideneamino]benzamide
SMILESCc1cc(C)c(/C=N\NC(=O)c2ccc(-c3ccccc3)cc2)c(C)c1
InChIInChI=1S/C23H22N2O/c1-16-13-17(2)22(18(3)14-16)15-24-25-23(26)21-11-9-20(10-12-21)19-7-5-4-6-8-19/h4-15H,1-3H3,(H,25,26)/b24-15-
InChIKeyGWJYYOLIEXKSBQ-IWIPYMOSSA-N
MW342.44 g/mol
LogP5.04
Rot. Bonds4

About 4-phenyl-N-[(Z)-(2,4,6-trimethylphenyl)methylideneamino]benzamide

4-phenyl-N-[(Z)-(2,4,6-trimethylphenyl)methylideneamino]benzamide (PubChem CID 6132987) has the molecular formula C23H22N2O and a molecular weight of 342.44 g/mol. Its IUPAC name is 4-phenyl-N-[(Z)-(2,4,6-trimethylphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-phenyl-N-[(Z)-(2,4,6-trimethylphenyl)methylideneamino]benzamide
PubChem CID6132987
Molecular FormulaC23H22N2O
Molecular Weight342.44 g/mol
Exact Mass342.17
IUPAC Name4-phenyl-N-[(Z)-(2,4,6-trimethylphenyl)methylideneamino]benzamide
SMILESCc1cc(C)c(/C=N\NC(=O)c2ccc(-c3ccccc3)cc2)c(C)c1
InChIInChI=1S/C23H22N2O/c1-16-13-17(2)22(18(3)14-16)15-24-25-23(26)21-11-9-20(10-12-21)19-7-5-4-6-8-19/h4-15H,1-3H3,(H,25,26)/b24-15-
InChIKeyGWJYYOLIEXKSBQ-IWIPYMOSSA-N
XLogP5.04
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.44
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

2-methyl-N-[4-[[(2,4,6-trimethylphenyl)methylideneamino]carbamoyl]phenyl]benzamide
CID 3376592
2-hydroxy-N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]benzamide
CID 6898847
N-[(2-hydroxyphenyl)methylideneamino]-4-phenylbenzamide
CID 827697
N-[(3-acetylphenyl)methylideneamino]-4-phenylbenzamide
CID 75306203
4-(2-amino-2-oxoethoxy)-N-[(2,4,6-trimethylphenyl)methylideneamino]benzamide
CID 3265840
N-[(Z)-(4-hydroxyphenyl)methylideneamino]-4-phenylbenzamide
CID 136661498
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4-phenylbenzamide
CID 135472549
4-phenyl-N-[(2,4,5-trimethoxyphenyl)methylideneamino]benzamide
CID 3501852
N-phenyl-N'-[(2,4,6-trimethylphenyl)methylideneamino]oxamide
CID 5164860
N-phenyl-N'-[(Z)-(2,4,6-trimethylphenyl)methylideneamino]oxamide
CID 6288830
N-[(3-ethenylphenyl)methylideneamino]-4-phenylbenzamide
CID 75306202
3-hydroxy-N-[(2,4,6-trimethylphenyl)methylideneamino]naphthalene-2-carboxamide
CID 5222816

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-[(Z)-(2,4,6-trimethylphenyl)methylideneamino]benzamide?
The IUPAC name of 4-phenyl-N-[(Z)-(2,4,6-trimethylphenyl)methylideneamino]benzamide (CID 6132987) is 4-phenyl-N-[(Z)-(2,4,6-trimethylphenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-phenyl-N-[(Z)-(2,4,6-trimethylphenyl)methylideneamino]benzamide?
The canonical SMILES for 4-phenyl-N-[(Z)-(2,4,6-trimethylphenyl)methylideneamino]benzamide is Cc1cc(C)c(/C=N\NC(=O)c2ccc(-c3ccccc3)cc2)c(C)c1.
What is the InChIKey of 4-phenyl-N-[(Z)-(2,4,6-trimethylphenyl)methylideneamino]benzamide?
The InChIKey is GWJYYOLIEXKSBQ-IWIPYMOSSA-N. The full InChI is InChI=1S/C23H22N2O/c1-16-13-17(2)22(18(3)14-16)15-24-25-23(26)21-11-9-20(10-12-21)19-7-5-4-6-8-19/h4-15H,1-3H3,(H,25,26)/b24-15-.
What are the key properties of 4-phenyl-N-[(Z)-(2,4,6-trimethylphenyl)methylideneamino]benzamide?
4-phenyl-N-[(Z)-(2,4,6-trimethylphenyl)methylideneamino]benzamide has a molecular weight of 342.44 g/mol, XLogP of 5.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-[(Z)-(2,4,6-trimethylphenyl)methylideneamino]benzamide is sourced from PubChem (CID 6132987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).