N-[(3-acetylphenyl)methylideneamino]-4-phenylbenzamide

C22H18N2O2 — CID 75306203

IUPACN-[(3-acetylphenyl)methylideneamino]-4-phenylbenzamide
SMILESCC(=O)c1cccc(C=NNC(=O)c2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C22H18N2O2/c1-16(25)21-9-5-6-17(14-21)15-23-24-22(26)20-12-10-19(11-13-20)18-7-3-2-4-8-18/h2-15H,1H3,(H,24,26)
InChIKeyRXGLKPLJCRWVDP-UHFFFAOYSA-N
MW342.40 g/mol
LogP4.32
Rot. Bonds5

About N-[(3-acetylphenyl)methylideneamino]-4-phenylbenzamide

N-[(3-acetylphenyl)methylideneamino]-4-phenylbenzamide (PubChem CID 75306203) has the molecular formula C22H18N2O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-[(3-acetylphenyl)methylideneamino]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[(3-acetylphenyl)methylideneamino]-4-phenylbenzamide
PubChem CID75306203
Molecular FormulaC22H18N2O2
Molecular Weight342.40 g/mol
Exact Mass342.14
IUPAC NameN-[(3-acetylphenyl)methylideneamino]-4-phenylbenzamide
SMILESCC(=O)c1cccc(C=NNC(=O)c2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C22H18N2O2/c1-16(25)21-9-5-6-17(14-21)15-23-24-22(26)20-12-10-19(11-13-20)18-7-3-2-4-8-18/h2-15H,1H3,(H,24,26)
InChIKeyRXGLKPLJCRWVDP-UHFFFAOYSA-N
XLogP4.32
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.32
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-[(3-ethenylphenyl)methylideneamino]-4-phenylbenzamide
CID 75306202
N-[(E)-(3-nitrophenyl)methylideneamino]-4-phenylbenzamide
CID 6897881
N-[(3,4-dimethoxyphenyl)methylideneamino]-4-phenylbenzamide
CID 5064739
N-[(E)-[3-[(E)-(benzoylhydrazinylidene)methyl]-5-[(Z)-(benzoylhydrazinylidene)methyl]phenyl]methylideneamino]benzamide
CID 45048078
N-[(Z)-(4-hydroxyphenyl)methylideneamino]-4-phenylbenzamide
CID 136661498
3-[(E)-[[4-(dimethylamino)benzoyl]hydrazinylidene]methyl]benzoic acid
CID 127042960
4-phenyl-N-[(Z)-(2,4,6-trimethylphenyl)methylideneamino]benzamide
CID 6132987
[2-methoxy-4-[[(4-phenylbenzoyl)hydrazinylidene]methyl]phenyl] acetate
CID 1008575
3-bromo-N-[(4-phenylphenyl)methylideneamino]benzamide
CID 2828054
4-acetamido-N-[(Z)-benzylideneamino]benzamide
CID 5397950
N-[(2-hydroxyphenyl)methylideneamino]-4-phenylbenzamide
CID 827697
3-benzamido-N-[(E)-benzylideneamino]benzamide
CID 56690708

Frequently Asked Questions

What is the IUPAC name of N-[(3-acetylphenyl)methylideneamino]-4-phenylbenzamide?
The IUPAC name of N-[(3-acetylphenyl)methylideneamino]-4-phenylbenzamide (CID 75306203) is N-[(3-acetylphenyl)methylideneamino]-4-phenylbenzamide.
What is the SMILES notation for N-[(3-acetylphenyl)methylideneamino]-4-phenylbenzamide?
The canonical SMILES for N-[(3-acetylphenyl)methylideneamino]-4-phenylbenzamide is CC(=O)c1cccc(C=NNC(=O)c2ccc(-c3ccccc3)cc2)c1.
What is the InChIKey of N-[(3-acetylphenyl)methylideneamino]-4-phenylbenzamide?
The InChIKey is RXGLKPLJCRWVDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O2/c1-16(25)21-9-5-6-17(14-21)15-23-24-22(26)20-12-10-19(11-13-20)18-7-3-2-4-8-18/h2-15H,1H3,(H,24,26).
What are the key properties of N-[(3-acetylphenyl)methylideneamino]-4-phenylbenzamide?
N-[(3-acetylphenyl)methylideneamino]-4-phenylbenzamide has a molecular weight of 342.40 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-acetylphenyl)methylideneamino]-4-phenylbenzamide is sourced from PubChem (CID 75306203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).