4-amino-N-[(E)-benzylideneamino]benzamide

C14H13N3O — CID 6895692

IUPAC4-amino-N-[(E)-benzylideneamino]benzamide
SMILESNc1ccc(C(=O)N/N=C/c2ccccc2)cc1
InChIInChI=1S/C14H13N3O/c15-13-8-6-12(7-9-13)14(18)17-16-10-11-4-2-1-3-5-11/h1-10H,15H2,(H,17,18)/b16-10+
InChIKeySIIYIFFQXBUHDX-MHWRWJLKSA-N
MW239.28 g/mol
LogP2.03
Rot. Bonds3

About 4-amino-N-[(E)-benzylideneamino]benzamide

4-amino-N-[(E)-benzylideneamino]benzamide (PubChem CID 6895692) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 4-amino-N-[(E)-benzylideneamino]benzamide.

Molecular Properties

Compound Name4-amino-N-[(E)-benzylideneamino]benzamide
PubChem CID6895692
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name4-amino-N-[(E)-benzylideneamino]benzamide
SMILESNc1ccc(C(=O)N/N=C/c2ccccc2)cc1
InChIInChI=1S/C14H13N3O/c15-13-8-6-12(7-9-13)14(18)17-16-10-11-4-2-1-3-5-11/h1-10H,15H2,(H,17,18)/b16-10+
InChIKeySIIYIFFQXBUHDX-MHWRWJLKSA-N
XLogP2.03
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(E)-benzylideneamino]benzamide?
The IUPAC name of 4-amino-N-[(E)-benzylideneamino]benzamide (CID 6895692) is 4-amino-N-[(E)-benzylideneamino]benzamide.
What is the SMILES notation for 4-amino-N-[(E)-benzylideneamino]benzamide?
The canonical SMILES for 4-amino-N-[(E)-benzylideneamino]benzamide is Nc1ccc(C(=O)N/N=C/c2ccccc2)cc1.
What is the InChIKey of 4-amino-N-[(E)-benzylideneamino]benzamide?
The InChIKey is SIIYIFFQXBUHDX-MHWRWJLKSA-N. The full InChI is InChI=1S/C14H13N3O/c15-13-8-6-12(7-9-13)14(18)17-16-10-11-4-2-1-3-5-11/h1-10H,15H2,(H,17,18)/b16-10+.
What are the key properties of 4-amino-N-[(E)-benzylideneamino]benzamide?
4-amino-N-[(E)-benzylideneamino]benzamide has a molecular weight of 239.28 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(E)-benzylideneamino]benzamide is sourced from PubChem (CID 6895692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).