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

C21H16FN3O2 — CID 24789540

IUPACN-(benzylideneamino)-4-[(4-fluorobenzoyl)amino]benzamide
SMILESO=C(NN=Cc1ccccc1)c1ccc(NC(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C21H16FN3O2/c22-18-10-6-16(7-11-18)20(26)24-19-12-8-17(9-13-19)21(27)25-23-14-15-4-2-1-3-5-15/h1-14H,(H,24,26)(H,25,27)
InChIKeyKZVUKKUJOWSFNZ-UHFFFAOYSA-N
MW361.38 g/mol
LogP3.84
Rot. Bonds5

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

N-(benzylideneamino)-4-[(4-fluorobenzoyl)amino]benzamide (PubChem CID 24789540) has the molecular formula C21H16FN3O2 and a molecular weight of 361.38 g/mol. Its IUPAC name is N-(benzylideneamino)-4-[(4-fluorobenzoyl)amino]benzamide.

Molecular Properties

Compound NameN-(benzylideneamino)-4-[(4-fluorobenzoyl)amino]benzamide
PubChem CID24789540
Molecular FormulaC21H16FN3O2
Molecular Weight361.38 g/mol
Exact Mass361.12
IUPAC NameN-(benzylideneamino)-4-[(4-fluorobenzoyl)amino]benzamide
SMILESO=C(NN=Cc1ccccc1)c1ccc(NC(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C21H16FN3O2/c22-18-10-6-16(7-11-18)20(26)24-19-12-8-17(9-13-19)21(27)25-23-14-15-4-2-1-3-5-15/h1-14H,(H,24,26)(H,25,27)
InChIKeyKZVUKKUJOWSFNZ-UHFFFAOYSA-N
XLogP3.84
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.38
LogP ≤ 53.84
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'}

Analyze N-(benzylideneamino)-4-[(4-fluorobenzoyl)amino]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-[(4-fluorophenyl)methylideneamino]benzamide
CID 724426
4-acetamido-N-[(Z)-benzylideneamino]benzamide
CID 5397950
4-fluoro-N-[(E)-(4-fluorophenyl)methylideneamino]benzamide
CID 5333155
4-fluoro-N-[(Z)-(4-fluorophenyl)methylideneamino]benzamide
CID 5394348
N-[(3-bromophenyl)methylideneamino]-4-[(4-fluorobenzoyl)amino]benzamide
CID 171134385
3-benzamido-N-[(E)-benzylideneamino]benzamide
CID 56690708
4-[(4-fluorobenzoyl)amino]-N-[(E)-(3-methoxyphenyl)methylideneamino]benzamide
CID 86809552
N-(benzylideneamino)-4-(2-methylpropanoylamino)benzamide
CID 4924958
4-amino-N-[(Z)-benzylideneamino]benzamide
CID 5398118
N-[4-[[(4-fluorophenyl)methylideneamino]carbamoyl]phenyl]-3-nitrobenzamide
CID 171135939
4-benzoyl-N-(4-fluorophenyl)benzamide
CID 2315903
4-[[(4-fluorobenzoyl)hydrazinylidene]methyl]benzoate
CID 2403681

Frequently Asked Questions

What is the IUPAC name of N-(benzylideneamino)-4-[(4-fluorobenzoyl)amino]benzamide?
The IUPAC name of N-(benzylideneamino)-4-[(4-fluorobenzoyl)amino]benzamide (CID 24789540) is N-(benzylideneamino)-4-[(4-fluorobenzoyl)amino]benzamide.
What is the SMILES notation for N-(benzylideneamino)-4-[(4-fluorobenzoyl)amino]benzamide?
The canonical SMILES for N-(benzylideneamino)-4-[(4-fluorobenzoyl)amino]benzamide is O=C(NN=Cc1ccccc1)c1ccc(NC(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of N-(benzylideneamino)-4-[(4-fluorobenzoyl)amino]benzamide?
The InChIKey is KZVUKKUJOWSFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3O2/c22-18-10-6-16(7-11-18)20(26)24-19-12-8-17(9-13-19)21(27)25-23-14-15-4-2-1-3-5-15/h1-14H,(H,24,26)(H,25,27).
What are the key properties of N-(benzylideneamino)-4-[(4-fluorobenzoyl)amino]benzamide?
N-(benzylideneamino)-4-[(4-fluorobenzoyl)amino]benzamide has a molecular weight of 361.38 g/mol, XLogP of 3.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzylideneamino)-4-[(4-fluorobenzoyl)amino]benzamide is sourced from PubChem (CID 24789540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).