2-(benzylideneamino)benzamide

C14H12N2O — CID 794805

IUPAC2-(benzylideneamino)benzamide
SMILESNC(=O)c1ccccc1/N=C/c1ccccc1
InChIInChI=1S/C14H12N2O/c15-14(17)12-8-4-5-9-13(12)16-10-11-6-2-1-3-7-11/h1-10H,(H2,15,17)/b16-10+
InChIKeyWTYSPZVEJRBEAA-MHWRWJLKSA-N
MW224.26 g/mol
LogP2.54
Rot. Bonds3

About 2-(benzylideneamino)benzamide

2-(benzylideneamino)benzamide (PubChem CID 794805) has the molecular formula C14H12N2O and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-(benzylideneamino)benzamide.

Molecular Properties

Compound Name2-(benzylideneamino)benzamide
PubChem CID794805
Molecular FormulaC14H12N2O
Molecular Weight224.26 g/mol
Exact Mass224.09
IUPAC Name2-(benzylideneamino)benzamide
SMILESNC(=O)c1ccccc1/N=C/c1ccccc1
InChIInChI=1S/C14H12N2O/c15-14(17)12-8-4-5-9-13(12)16-10-11-6-2-1-3-7-11/h1-10H,(H2,15,17)/b16-10+
InChIKeyWTYSPZVEJRBEAA-MHWRWJLKSA-N
XLogP2.54
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.54
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-(benzylideneamino)benzamide?
The IUPAC name of 2-(benzylideneamino)benzamide (CID 794805) is 2-(benzylideneamino)benzamide.
What is the SMILES notation for 2-(benzylideneamino)benzamide?
The canonical SMILES for 2-(benzylideneamino)benzamide is NC(=O)c1ccccc1/N=C/c1ccccc1.
What is the InChIKey of 2-(benzylideneamino)benzamide?
The InChIKey is WTYSPZVEJRBEAA-MHWRWJLKSA-N. The full InChI is InChI=1S/C14H12N2O/c15-14(17)12-8-4-5-9-13(12)16-10-11-6-2-1-3-7-11/h1-10H,(H2,15,17)/b16-10+.
What are the key properties of 2-(benzylideneamino)benzamide?
2-(benzylideneamino)benzamide has a molecular weight of 224.26 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylideneamino)benzamide is sourced from PubChem (CID 794805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).