N-(4-cyanophenyl)-3-fluorobenzamide

C14H9FN2O — CID 1122145

IUPACN-(4-cyanophenyl)-3-fluorobenzamide
SMILESN#Cc1ccc(NC(=O)c2cccc(F)c2)cc1
InChIInChI=1S/C14H9FN2O/c15-12-3-1-2-11(8-12)14(18)17-13-6-4-10(9-16)5-7-13/h1-8H,(H,17,18)
InChIKeyVCDFFOJUFXAXQL-UHFFFAOYSA-N
MW240.24 g/mol
LogP2.95
Rot. Bonds2

About N-(4-cyanophenyl)-3-fluorobenzamide

N-(4-cyanophenyl)-3-fluorobenzamide (PubChem CID 1122145) has the molecular formula C14H9FN2O and a molecular weight of 240.24 g/mol. Its IUPAC name is N-(4-cyanophenyl)-3-fluorobenzamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-3-fluorobenzamide
PubChem CID1122145
Molecular FormulaC14H9FN2O
Molecular Weight240.24 g/mol
Exact Mass240.07
IUPAC NameN-(4-cyanophenyl)-3-fluorobenzamide
SMILESN#Cc1ccc(NC(=O)c2cccc(F)c2)cc1
InChIInChI=1S/C14H9FN2O/c15-12-3-1-2-11(8-12)14(18)17-13-6-4-10(9-16)5-7-13/h1-8H,(H,17,18)
InChIKeyVCDFFOJUFXAXQL-UHFFFAOYSA-N
XLogP2.95
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.24
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-(4-cyanophenyl)-4-N-(3-fluorophenyl)benzene-1,4-dicarboxamide
CID 109050204
3-N-(4-chlorophenyl)-1-N-(4-cyanophenyl)benzene-1,3-dicarboxamide
CID 109057551
3-fluoro-N-[4-(3-hydroxyprop-1-ynyl)phenyl]benzamide
CID 60803966
3-[(4-cyanophenyl)sulfamoyl]-N-(4-fluorophenyl)benzamide
CID 109065822
3-fluoro-N-[4-(hydroxycarbamoyl)phenyl]benzamide
CID 90480202
3-cyano-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 2649522
4-N-(3-cyanophenyl)-1-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049931
N-(4-cyanophenyl)-3-fluoro-4-methylbenzamide
CID 24694502
1-N-(4-cyanophenyl)-3-N-(4-ethoxyphenyl)benzene-1,3-dicarboxamide
CID 109057669
N-(4-chlorophenyl)-3-cyanobenzamide
CID 1475891
N-(4-cyanophenyl)-2-fluoro-6-hydroxybenzamide
CID 104917041
N-(4-cyanophenyl)-3-fluoro-5-nitrobenzamide
CID 78953284

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-3-fluorobenzamide?
The IUPAC name of N-(4-cyanophenyl)-3-fluorobenzamide (CID 1122145) is N-(4-cyanophenyl)-3-fluorobenzamide.
What is the SMILES notation for N-(4-cyanophenyl)-3-fluorobenzamide?
The canonical SMILES for N-(4-cyanophenyl)-3-fluorobenzamide is N#Cc1ccc(NC(=O)c2cccc(F)c2)cc1.
What is the InChIKey of N-(4-cyanophenyl)-3-fluorobenzamide?
The InChIKey is VCDFFOJUFXAXQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN2O/c15-12-3-1-2-11(8-12)14(18)17-13-6-4-10(9-16)5-7-13/h1-8H,(H,17,18).
What are the key properties of N-(4-cyanophenyl)-3-fluorobenzamide?
N-(4-cyanophenyl)-3-fluorobenzamide has a molecular weight of 240.24 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-3-fluorobenzamide is sourced from PubChem (CID 1122145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).