N-(4-chlorophenyl)-4-fluorobenzamide

C13H9ClFNO — CID 2837042

IUPACN-(4-chlorophenyl)-4-fluorobenzamide
SMILESO=C(Nc1ccc(Cl)cc1)c1ccc(F)cc1
InChIInChI=1S/C13H9ClFNO/c14-10-3-7-12(8-4-10)16-13(17)9-1-5-11(15)6-2-9/h1-8H,(H,16,17)
InChIKeyGUKCQKJHMDSOQM-UHFFFAOYSA-N
MW249.67 g/mol
LogP3.73
Rot. Bonds2

About N-(4-chlorophenyl)-4-fluorobenzamide

N-(4-chlorophenyl)-4-fluorobenzamide (PubChem CID 2837042) has the molecular formula C13H9ClFNO and a molecular weight of 249.67 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-fluorobenzamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-fluorobenzamide
PubChem CID2837042
Molecular FormulaC13H9ClFNO
Molecular Weight249.67 g/mol
Exact Mass249.04
IUPAC NameN-(4-chlorophenyl)-4-fluorobenzamide
SMILESO=C(Nc1ccc(Cl)cc1)c1ccc(F)cc1
InChIInChI=1S/C13H9ClFNO/c14-10-3-7-12(8-4-10)16-13(17)9-1-5-11(15)6-2-9/h1-8H,(H,16,17)
InChIKeyGUKCQKJHMDSOQM-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

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-fluorobenzamide?
The IUPAC name of N-(4-chlorophenyl)-4-fluorobenzamide (CID 2837042) is N-(4-chlorophenyl)-4-fluorobenzamide.
What is the SMILES notation for N-(4-chlorophenyl)-4-fluorobenzamide?
The canonical SMILES for N-(4-chlorophenyl)-4-fluorobenzamide is O=C(Nc1ccc(Cl)cc1)c1ccc(F)cc1.
What is the InChIKey of N-(4-chlorophenyl)-4-fluorobenzamide?
The InChIKey is GUKCQKJHMDSOQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFNO/c14-10-3-7-12(8-4-10)16-13(17)9-1-5-11(15)6-2-9/h1-8H,(H,16,17).
What are the key properties of N-(4-chlorophenyl)-4-fluorobenzamide?
N-(4-chlorophenyl)-4-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-(4-chlorophenyl)-4-fluorobenzamide is sourced from PubChem (CID 2837042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).