N-[(E)-3-phenylprop-2-ynylideneamino]benzamide

C16H12N2O — CID 11276705

IUPACN-[(E)-3-phenylprop-2-ynylideneamino]benzamide
SMILESO=C(N/N=C/C#Cc1ccccc1)c1ccccc1
InChIInChI=1S/C16H12N2O/c19-16(15-11-5-2-6-12-15)18-17-13-7-10-14-8-3-1-4-9-14/h1-6,8-9,11-13H,(H,18,19)/b17-13+
InChIKeyUJCPDJKXGDUSFY-GHRIWEEISA-N
MW248.28 g/mol
LogP2.45
Rot. Bonds2

About N-[(E)-3-phenylprop-2-ynylideneamino]benzamide

N-[(E)-3-phenylprop-2-ynylideneamino]benzamide (PubChem CID 11276705) has the molecular formula C16H12N2O and a molecular weight of 248.28 g/mol. Its IUPAC name is N-[(E)-3-phenylprop-2-ynylideneamino]benzamide.

Molecular Properties

Compound NameN-[(E)-3-phenylprop-2-ynylideneamino]benzamide
PubChem CID11276705
Molecular FormulaC16H12N2O
Molecular Weight248.28 g/mol
Exact Mass248.09
IUPAC NameN-[(E)-3-phenylprop-2-ynylideneamino]benzamide
SMILESO=C(N/N=C/C#Cc1ccccc1)c1ccccc1
InChIInChI=1S/C16H12N2O/c19-16(15-11-5-2-6-12-15)18-17-13-7-10-14-8-3-1-4-9-14/h1-6,8-9,11-13H,(H,18,19)/b17-13+
InChIKeyUJCPDJKXGDUSFY-GHRIWEEISA-N
XLogP2.45
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 52.45
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze N-[(E)-3-phenylprop-2-ynylideneamino]benzamide 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)-prop-2-enylideneamino]benzamide
CID 5356202
N-[(E)-[3-[(E)-(benzoylhydrazinylidene)methyl]-5-[(Z)-(benzoylhydrazinylidene)methyl]phenyl]methylideneamino]benzamide
CID 45048078
[2-[(benzoylhydrazinylidene)methyl]phenyl]oxidanium;chlorocobalt(1+)
CID 50911654
[(Z,3E)-3-(benzoylhydrazinylidene)-1-phenylprop-1-enyl] thiocyanate
CID 135050778
N-[(E)-(2,4-difluorophenyl)methylideneamino]benzamide
CID 6909478
N-[(4-fluorophenyl)methylideneamino]benzamide
CID 724426
N-[(E)-2,2,3,3,3-pentafluoropropylideneamino]benzamide
CID 6900311
N-[(Z)-(5-bromofuran-2-yl)methylideneamino]benzamide
CID 5397633
N-[(Z)-(5-phenylsulfanylfuran-2-yl)methylideneamino]benzamide
CID 94845215
N-[(Z)-naphthalen-1-ylmethylideneamino]benzamide
CID 5397614
4-fluoro-N-[(E)-(2-fluorophenyl)methylideneamino]benzamide
CID 5333160
N-[(Z)-[5-(4-cyanophenyl)furan-2-yl]methylideneamino]benzamide
CID 126020827

Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-phenylprop-2-ynylideneamino]benzamide?
The IUPAC name of N-[(E)-3-phenylprop-2-ynylideneamino]benzamide (CID 11276705) is N-[(E)-3-phenylprop-2-ynylideneamino]benzamide.
What is the SMILES notation for N-[(E)-3-phenylprop-2-ynylideneamino]benzamide?
The canonical SMILES for N-[(E)-3-phenylprop-2-ynylideneamino]benzamide is O=C(N/N=C/C#Cc1ccccc1)c1ccccc1.
What is the InChIKey of N-[(E)-3-phenylprop-2-ynylideneamino]benzamide?
The InChIKey is UJCPDJKXGDUSFY-GHRIWEEISA-N. The full InChI is InChI=1S/C16H12N2O/c19-16(15-11-5-2-6-12-15)18-17-13-7-10-14-8-3-1-4-9-14/h1-6,8-9,11-13H,(H,18,19)/b17-13+.
What are the key properties of N-[(E)-3-phenylprop-2-ynylideneamino]benzamide?
N-[(E)-3-phenylprop-2-ynylideneamino]benzamide has a molecular weight of 248.28 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-phenylprop-2-ynylideneamino]benzamide is sourced from PubChem (CID 11276705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).