N-benzylidene-4-fluorobenzamide

C14H10FNO — CID 135079547

IUPACN-benzylidene-4-fluorobenzamide
SMILESO=C(/N=C/c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C14H10FNO/c15-13-8-6-12(7-9-13)14(17)16-10-11-4-2-1-3-5-11/h1-10H/b16-10+
InChIKeyZNSXIOYPSUFSGO-MHWRWJLKSA-N
MW227.24 g/mol
LogP3.09
Rot. Bonds2

About N-benzylidene-4-fluorobenzamide

N-benzylidene-4-fluorobenzamide (PubChem CID 135079547) has the molecular formula C14H10FNO and a molecular weight of 227.24 g/mol. Its IUPAC name is N-benzylidene-4-fluorobenzamide.

Molecular Properties

Compound NameN-benzylidene-4-fluorobenzamide
PubChem CID135079547
Molecular FormulaC14H10FNO
Molecular Weight227.24 g/mol
Exact Mass227.07
IUPAC NameN-benzylidene-4-fluorobenzamide
SMILESO=C(/N=C/c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C14H10FNO/c15-13-8-6-12(7-9-13)14(17)16-10-11-4-2-1-3-5-11/h1-10H/b16-10+
InChIKeyZNSXIOYPSUFSGO-MHWRWJLKSA-N
XLogP3.09
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.24
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-benzylidene-4-fluorobenzamide?
The IUPAC name of N-benzylidene-4-fluorobenzamide (CID 135079547) is N-benzylidene-4-fluorobenzamide.
What is the SMILES notation for N-benzylidene-4-fluorobenzamide?
The canonical SMILES for N-benzylidene-4-fluorobenzamide is O=C(/N=C/c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of N-benzylidene-4-fluorobenzamide?
The InChIKey is ZNSXIOYPSUFSGO-MHWRWJLKSA-N. The full InChI is InChI=1S/C14H10FNO/c15-13-8-6-12(7-9-13)14(17)16-10-11-4-2-1-3-5-11/h1-10H/b16-10+.
What are the key properties of N-benzylidene-4-fluorobenzamide?
N-benzylidene-4-fluorobenzamide has a molecular weight of 227.24 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzylidene-4-fluorobenzamide is sourced from PubChem (CID 135079547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).