N-benzhydrylidene-4-fluorobenzamide

C20H14FNO — CID 5170955

IUPACN-benzhydrylidene-4-fluorobenzamide
SMILESO=C(N=C(c1ccccc1)c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C20H14FNO/c21-18-13-11-17(12-14-18)20(23)22-19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14H
InChIKeyISBOXITUFWWANM-UHFFFAOYSA-N
MW303.34 g/mol
LogP4.50
Rot. Bonds3

About N-benzhydrylidene-4-fluorobenzamide

N-benzhydrylidene-4-fluorobenzamide (PubChem CID 5170955) has the molecular formula C20H14FNO and a molecular weight of 303.34 g/mol. Its IUPAC name is N-benzhydrylidene-4-fluorobenzamide.

Molecular Properties

Compound NameN-benzhydrylidene-4-fluorobenzamide
PubChem CID5170955
Molecular FormulaC20H14FNO
Molecular Weight303.34 g/mol
Exact Mass303.11
IUPAC NameN-benzhydrylidene-4-fluorobenzamide
SMILESO=C(N=C(c1ccccc1)c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C20H14FNO/c21-18-13-11-17(12-14-18)20(23)22-19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14H
InChIKeyISBOXITUFWWANM-UHFFFAOYSA-N
XLogP4.50
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-benzhydrylidene-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-benzhydrylidene-4-fluorobenzamide?
The IUPAC name of N-benzhydrylidene-4-fluorobenzamide (CID 5170955) is N-benzhydrylidene-4-fluorobenzamide.
What is the SMILES notation for N-benzhydrylidene-4-fluorobenzamide?
The canonical SMILES for N-benzhydrylidene-4-fluorobenzamide is O=C(N=C(c1ccccc1)c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of N-benzhydrylidene-4-fluorobenzamide?
The InChIKey is ISBOXITUFWWANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FNO/c21-18-13-11-17(12-14-18)20(23)22-19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14H.
What are the key properties of N-benzhydrylidene-4-fluorobenzamide?
N-benzhydrylidene-4-fluorobenzamide has a molecular weight of 303.34 g/mol, XLogP of 4.50, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydrylidene-4-fluorobenzamide is sourced from PubChem (CID 5170955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).