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

C22H18N2O — CID 75306202

IUPACN-[(3-ethenylphenyl)methylideneamino]-4-phenylbenzamide
SMILESC=Cc1cccc(C=NNC(=O)c2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C22H18N2O/c1-2-17-7-6-8-18(15-17)16-23-24-22(25)21-13-11-20(12-14-21)19-9-4-3-5-10-19/h2-16H,1H2,(H,24,25)
InChIKeyQYUNKHXWTAFBDJ-UHFFFAOYSA-N
MW326.40 g/mol
LogP4.76
Rot. Bonds5

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

N-[(3-ethenylphenyl)methylideneamino]-4-phenylbenzamide (PubChem CID 75306202) has the molecular formula C22H18N2O and a molecular weight of 326.40 g/mol. Its IUPAC name is N-[(3-ethenylphenyl)methylideneamino]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[(3-ethenylphenyl)methylideneamino]-4-phenylbenzamide
PubChem CID75306202
Molecular FormulaC22H18N2O
Molecular Weight326.40 g/mol
Exact Mass326.14
IUPAC NameN-[(3-ethenylphenyl)methylideneamino]-4-phenylbenzamide
SMILESC=Cc1cccc(C=NNC(=O)c2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C22H18N2O/c1-2-17-7-6-8-18(15-17)16-23-24-22(25)21-13-11-20(12-14-21)19-9-4-3-5-10-19/h2-16H,1H2,(H,24,25)
InChIKeyQYUNKHXWTAFBDJ-UHFFFAOYSA-N
XLogP4.76
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 54.76
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

N-[(3-acetylphenyl)methylideneamino]-4-phenylbenzamide
CID 75306203
N-[(E)-(3-nitrophenyl)methylideneamino]-4-phenylbenzamide
CID 6897881
N-[(E)-[3-[(E)-(benzoylhydrazinylidene)methyl]-5-[(Z)-(benzoylhydrazinylidene)methyl]phenyl]methylideneamino]benzamide
CID 45048078
N-[(Z)-(4-hydroxyphenyl)methylideneamino]-4-phenylbenzamide
CID 136661498
N-[(3,4-dimethoxyphenyl)methylideneamino]-4-phenylbenzamide
CID 5064739
4-[3-(hydroxyamino)-3-oxoprop-1-enyl]-N-[(4-phenylphenyl)methylideneamino]benzamide
CID 123393502
4-phenyl-N-[(Z)-(2,4,6-trimethylphenyl)methylideneamino]benzamide
CID 6132987
3-bromo-N-[(4-phenylphenyl)methylideneamino]benzamide
CID 2828054
N-(benzylideneamino)-4-prop-2-enoxybenzamide
CID 4925725
N-[(4-cyanophenyl)methylideneamino]-4-phenylbenzamide
CID 681341
N-[(2-hydroxyphenyl)methylideneamino]-4-phenylbenzamide
CID 827697
4-(dimethylamino)-N-[[3-(prop-2-enoxyiminomethyl)phenyl]methylideneamino]benzamide
CID 75306323

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethenylphenyl)methylideneamino]-4-phenylbenzamide?
The IUPAC name of N-[(3-ethenylphenyl)methylideneamino]-4-phenylbenzamide (CID 75306202) is N-[(3-ethenylphenyl)methylideneamino]-4-phenylbenzamide.
What is the SMILES notation for N-[(3-ethenylphenyl)methylideneamino]-4-phenylbenzamide?
The canonical SMILES for N-[(3-ethenylphenyl)methylideneamino]-4-phenylbenzamide is C=Cc1cccc(C=NNC(=O)c2ccc(-c3ccccc3)cc2)c1.
What is the InChIKey of N-[(3-ethenylphenyl)methylideneamino]-4-phenylbenzamide?
The InChIKey is QYUNKHXWTAFBDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O/c1-2-17-7-6-8-18(15-17)16-23-24-22(25)21-13-11-20(12-14-21)19-9-4-3-5-10-19/h2-16H,1H2,(H,24,25).
What are the key properties of N-[(3-ethenylphenyl)methylideneamino]-4-phenylbenzamide?
N-[(3-ethenylphenyl)methylideneamino]-4-phenylbenzamide has a molecular weight of 326.40 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethenylphenyl)methylideneamino]-4-phenylbenzamide is sourced from PubChem (CID 75306202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).