2-[[(E)-3-phenylprop-2-enylidene]amino]benzamide

C16H14N2O — CID 165346255

IUPAC2-[[(E)-3-phenylprop-2-enylidene]amino]benzamide
SMILESNC(=O)c1ccccc1/N=C/C=C/c1ccccc1
InChIInChI=1S/C16H14N2O/c17-16(19)14-10-4-5-11-15(14)18-12-6-9-13-7-2-1-3-8-13/h1-12H,(H2,17,19)/b9-6+,18-12+
InChIKeyYJJQGIRYTAPXOF-PXYULHTISA-N
MW250.30 g/mol
LogP3.20
Rot. Bonds4

About 2-[[(E)-3-phenylprop-2-enylidene]amino]benzamide

2-[[(E)-3-phenylprop-2-enylidene]amino]benzamide (PubChem CID 165346255) has the molecular formula C16H14N2O and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-[[(E)-3-phenylprop-2-enylidene]amino]benzamide.

Molecular Properties

Compound Name2-[[(E)-3-phenylprop-2-enylidene]amino]benzamide
PubChem CID165346255
Molecular FormulaC16H14N2O
Molecular Weight250.30 g/mol
Exact Mass250.11
IUPAC Name2-[[(E)-3-phenylprop-2-enylidene]amino]benzamide
SMILESNC(=O)c1ccccc1/N=C/C=C/c1ccccc1
InChIInChI=1S/C16H14N2O/c17-16(19)14-10-4-5-11-15(14)18-12-6-9-13-7-2-1-3-8-13/h1-12H,(H2,17,19)/b9-6+,18-12+
InChIKeyYJJQGIRYTAPXOF-PXYULHTISA-N
XLogP3.20
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-3-phenylprop-2-enylidene]amino]benzamide?
The IUPAC name of 2-[[(E)-3-phenylprop-2-enylidene]amino]benzamide (CID 165346255) is 2-[[(E)-3-phenylprop-2-enylidene]amino]benzamide.
What is the SMILES notation for 2-[[(E)-3-phenylprop-2-enylidene]amino]benzamide?
The canonical SMILES for 2-[[(E)-3-phenylprop-2-enylidene]amino]benzamide is NC(=O)c1ccccc1/N=C/C=C/c1ccccc1.
What is the InChIKey of 2-[[(E)-3-phenylprop-2-enylidene]amino]benzamide?
The InChIKey is YJJQGIRYTAPXOF-PXYULHTISA-N. The full InChI is InChI=1S/C16H14N2O/c17-16(19)14-10-4-5-11-15(14)18-12-6-9-13-7-2-1-3-8-13/h1-12H,(H2,17,19)/b9-6+,18-12+.
What are the key properties of 2-[[(E)-3-phenylprop-2-enylidene]amino]benzamide?
2-[[(E)-3-phenylprop-2-enylidene]amino]benzamide has a molecular weight of 250.30 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-3-phenylprop-2-enylidene]amino]benzamide is sourced from PubChem (CID 165346255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).