3-benzamido-N-[(E)-benzylideneamino]benzamide

C21H17N3O2 — CID 56690708

IUPAC3-benzamido-N-[(E)-benzylideneamino]benzamide
SMILESO=C(N/N=C/c1ccccc1)c1cccc(NC(=O)c2ccccc2)c1
InChIInChI=1S/C21H17N3O2/c25-20(17-10-5-2-6-11-17)23-19-13-7-12-18(14-19)21(26)24-22-15-16-8-3-1-4-9-16/h1-15H,(H,23,25)(H,24,26)/b22-15+
InChIKeyPETYIZWZMFWYGO-PXLXIMEGSA-N
MW343.39 g/mol
LogP3.70
Rot. Bonds5

About 3-benzamido-N-[(E)-benzylideneamino]benzamide

3-benzamido-N-[(E)-benzylideneamino]benzamide (PubChem CID 56690708) has the molecular formula C21H17N3O2 and a molecular weight of 343.39 g/mol. Its IUPAC name is 3-benzamido-N-[(E)-benzylideneamino]benzamide.

Molecular Properties

Compound Name3-benzamido-N-[(E)-benzylideneamino]benzamide
PubChem CID56690708
Molecular FormulaC21H17N3O2
Molecular Weight343.39 g/mol
Exact Mass343.13
IUPAC Name3-benzamido-N-[(E)-benzylideneamino]benzamide
SMILESO=C(N/N=C/c1ccccc1)c1cccc(NC(=O)c2ccccc2)c1
InChIInChI=1S/C21H17N3O2/c25-20(17-10-5-2-6-11-17)23-19-13-7-12-18(14-19)21(26)24-22-15-16-8-3-1-4-9-16/h1-15H,(H,23,25)(H,24,26)/b22-15+
InChIKeyPETYIZWZMFWYGO-PXLXIMEGSA-N
XLogP3.70
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

3-benzamido-N-(1,3-benzodioxol-5-ylmethylideneamino)benzamide
CID 71960327
N-(benzylideneamino)-4-[(4-fluorobenzoyl)amino]benzamide
CID 24789540
N-[(E)-benzylideneamino]-3-hydroxybenzamide
CID 6869110
N-[(E)-[3-[(E)-(benzoylhydrazinylidene)methyl]-5-[(Z)-(benzoylhydrazinylidene)methyl]phenyl]methylideneamino]benzamide
CID 45048078
3-acetamido-N-[(4-fluorophenyl)methylideneamino]benzamide
CID 771273
N-[(Z)-benzylideneamino]-3-chlorobenzamide
CID 5409510
3-[(4-fluorobenzoyl)amino]-N-[(Z)-(2-hydroxyphenyl)methylideneamino]benzamide
CID 136746485
3-[(4-fluorobenzoyl)amino]-N-[(E)-(2-hydroxyphenyl)methylideneamino]benzamide
CID 135957362
4-acetamido-N-[(Z)-benzylideneamino]benzamide
CID 5397950
N-[3-[[(3-bromophenyl)methylideneamino]carbamoyl]phenyl]-2-fluorobenzamide
CID 4913995
4-[(4-bromobenzoyl)amino]-N-[(E)-(3-bromophenyl)methylideneamino]benzamide
CID 19578867
N-[(2-fluorophenyl)methylideneamino]-3-[(4-methylbenzoyl)amino]benzamide
CID 24789427

Frequently Asked Questions

What is the IUPAC name of 3-benzamido-N-[(E)-benzylideneamino]benzamide?
The IUPAC name of 3-benzamido-N-[(E)-benzylideneamino]benzamide (CID 56690708) is 3-benzamido-N-[(E)-benzylideneamino]benzamide.
What is the SMILES notation for 3-benzamido-N-[(E)-benzylideneamino]benzamide?
The canonical SMILES for 3-benzamido-N-[(E)-benzylideneamino]benzamide is O=C(N/N=C/c1ccccc1)c1cccc(NC(=O)c2ccccc2)c1.
What is the InChIKey of 3-benzamido-N-[(E)-benzylideneamino]benzamide?
The InChIKey is PETYIZWZMFWYGO-PXLXIMEGSA-N. The full InChI is InChI=1S/C21H17N3O2/c25-20(17-10-5-2-6-11-17)23-19-13-7-12-18(14-19)21(26)24-22-15-16-8-3-1-4-9-16/h1-15H,(H,23,25)(H,24,26)/b22-15+.
What are the key properties of 3-benzamido-N-[(E)-benzylideneamino]benzamide?
3-benzamido-N-[(E)-benzylideneamino]benzamide has a molecular weight of 343.39 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzamido-N-[(E)-benzylideneamino]benzamide is sourced from PubChem (CID 56690708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).