N-[(E)-benzylideneamino]-4-fluorobenzamide

C14H11FN2O — CID 5332163

IUPACN-[(E)-benzylideneamino]-4-fluorobenzamide
SMILESO=C(N/N=C/c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C14H11FN2O/c15-13-8-6-12(7-9-13)14(18)17-16-10-11-4-2-1-3-5-11/h1-10H,(H,17,18)/b16-10+
InChIKeyWFTMUPMNCOTYAC-MHWRWJLKSA-N
MW242.25 g/mol
LogP2.59
Rot. Bonds3

About N-[(E)-benzylideneamino]-4-fluorobenzamide

N-[(E)-benzylideneamino]-4-fluorobenzamide (PubChem CID 5332163) has the molecular formula C14H11FN2O and a molecular weight of 242.25 g/mol. Its IUPAC name is N-[(E)-benzylideneamino]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[(E)-benzylideneamino]-4-fluorobenzamide
PubChem CID5332163
Molecular FormulaC14H11FN2O
Molecular Weight242.25 g/mol
Exact Mass242.09
IUPAC NameN-[(E)-benzylideneamino]-4-fluorobenzamide
SMILESO=C(N/N=C/c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C14H11FN2O/c15-13-8-6-12(7-9-13)14(18)17-16-10-11-4-2-1-3-5-11/h1-10H,(H,17,18)/b16-10+
InChIKeyWFTMUPMNCOTYAC-MHWRWJLKSA-N
XLogP2.59
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.25
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(E)-benzylideneamino]-4-fluorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(E)-benzylideneamino]-4-fluorobenzamide?
The IUPAC name of N-[(E)-benzylideneamino]-4-fluorobenzamide (CID 5332163) is N-[(E)-benzylideneamino]-4-fluorobenzamide.
What is the SMILES notation for N-[(E)-benzylideneamino]-4-fluorobenzamide?
The canonical SMILES for N-[(E)-benzylideneamino]-4-fluorobenzamide is O=C(N/N=C/c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of N-[(E)-benzylideneamino]-4-fluorobenzamide?
The InChIKey is WFTMUPMNCOTYAC-MHWRWJLKSA-N. The full InChI is InChI=1S/C14H11FN2O/c15-13-8-6-12(7-9-13)14(18)17-16-10-11-4-2-1-3-5-11/h1-10H,(H,17,18)/b16-10+.
What are the key properties of N-[(E)-benzylideneamino]-4-fluorobenzamide?
N-[(E)-benzylideneamino]-4-fluorobenzamide has a molecular weight of 242.25 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-benzylideneamino]-4-fluorobenzamide is sourced from PubChem (CID 5332163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).