N-(3-chlorophenyl)-3-fluorobenzamide

C13H9ClFNO — CID 532008

IUPACN-(3-chlorophenyl)-3-fluorobenzamide
SMILESO=C(Nc1cccc(Cl)c1)c1cccc(F)c1
InChIInChI=1S/C13H9ClFNO/c14-10-4-2-6-12(8-10)16-13(17)9-3-1-5-11(15)7-9/h1-8H,(H,16,17)
InChIKeyOYJHAOCCKZFZBK-UHFFFAOYSA-N
MW249.67 g/mol
LogP3.73
Rot. Bonds2

About N-(3-chlorophenyl)-3-fluorobenzamide

N-(3-chlorophenyl)-3-fluorobenzamide (PubChem CID 532008) has the molecular formula C13H9ClFNO and a molecular weight of 249.67 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3-fluorobenzamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-3-fluorobenzamide
PubChem CID532008
Molecular FormulaC13H9ClFNO
Molecular Weight249.67 g/mol
Exact Mass249.04
IUPAC NameN-(3-chlorophenyl)-3-fluorobenzamide
SMILESO=C(Nc1cccc(Cl)c1)c1cccc(F)c1
InChIInChI=1S/C13H9ClFNO/c14-10-4-2-6-12(8-10)16-13(17)9-3-1-5-11(15)7-9/h1-8H,(H,16,17)
InChIKeyOYJHAOCCKZFZBK-UHFFFAOYSA-N
XLogP3.73
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.67
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(3-chlorophenyl)-3-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-(3-chlorophenyl)-3-fluorobenzamide?
The IUPAC name of N-(3-chlorophenyl)-3-fluorobenzamide (CID 532008) is N-(3-chlorophenyl)-3-fluorobenzamide.
What is the SMILES notation for N-(3-chlorophenyl)-3-fluorobenzamide?
The canonical SMILES for N-(3-chlorophenyl)-3-fluorobenzamide is O=C(Nc1cccc(Cl)c1)c1cccc(F)c1.
What is the InChIKey of N-(3-chlorophenyl)-3-fluorobenzamide?
The InChIKey is OYJHAOCCKZFZBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFNO/c14-10-4-2-6-12(8-10)16-13(17)9-3-1-5-11(15)7-9/h1-8H,(H,16,17).
What are the key properties of N-(3-chlorophenyl)-3-fluorobenzamide?
N-(3-chlorophenyl)-3-fluorobenzamide has a molecular weight of 249.67 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-3-fluorobenzamide is sourced from PubChem (CID 532008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).