3-(2-cyanophenyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide

C22H17FN2O — CID 141117062

IUPAC3-(2-cyanophenyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide
SMILESC[C@@H](NC(=O)c1cccc(-c2ccccc2C#N)c1)c1ccc(F)cc1
InChIInChI=1S/C22H17FN2O/c1-15(16-9-11-20(23)12-10-16)25-22(26)18-7-4-6-17(13-18)21-8-3-2-5-19(21)14-24/h2-13,15H,1H3,(H,25,26)/t15-/m1/s1
InChIKeySIIVZFREJAHKFW-OAHLLOKOSA-N
MW344.39 g/mol
LogP4.86
Rot. Bonds4

About 3-(2-cyanophenyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide

3-(2-cyanophenyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide (PubChem CID 141117062) has the molecular formula C22H17FN2O and a molecular weight of 344.39 g/mol. Its IUPAC name is 3-(2-cyanophenyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide.

Molecular Properties

Compound Name3-(2-cyanophenyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide
PubChem CID141117062
Molecular FormulaC22H17FN2O
Molecular Weight344.39 g/mol
Exact Mass344.13
IUPAC Name3-(2-cyanophenyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide
SMILESC[C@@H](NC(=O)c1cccc(-c2ccccc2C#N)c1)c1ccc(F)cc1
InChIInChI=1S/C22H17FN2O/c1-15(16-9-11-20(23)12-10-16)25-22(26)18-7-4-6-17(13-18)21-8-3-2-5-19(21)14-24/h2-13,15H,1H3,(H,25,26)/t15-/m1/s1
InChIKeySIIVZFREJAHKFW-OAHLLOKOSA-N
XLogP4.86
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-cyanophenyl)-N-[1-(4-fluorophenyl)ethyl]-5-(5-methyl-5-propan-2-yl-4H-1,2-oxazol-3-yl)benzamide
CID 42632721
5-(2-cyanophenyl)-1-N-[(1R)-1-(4-fluorophenyl)ethyl]-3-N-[(2S)-1-hydroxy-3-thiophen-3-ylpropan-2-yl]benzene-1,3-dicarboxamide
CID 11398402
methyl 3-(2-cyanophenyl)-5-[[(1R)-1-phenylethyl]carbamoyl]benzoate
CID 59297720
3-[5-(2-aminopropan-2-yl)-1,3,4-oxadiazol-2-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide
CID 143127152
3,5-difluoro-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 43906716
3-cyano-N-[1-(4-methylphenyl)ethyl]benzamide
CID 60739766
N-[1-(4-cyanophenyl)ethyl]-3-hydroxybenzamide
CID 86785759
N-[(1R)-1-(4-cyanophenyl)ethyl]-3-hydroxybenzamide
CID 99853114
3-cyano-N-[1-(4-methylsulfanylphenyl)ethyl]benzamide
CID 42959635
2-(2-cyanophenoxy)-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 2562613
3-(benzenesulfonamido)-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide
CID 9409977
N-[(1R)-1-(4-fluorophenyl)ethyl]-3-[(4-fluorophenyl)sulfamoyl]benzamide
CID 9410285

Frequently Asked Questions

What is the IUPAC name of 3-(2-cyanophenyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide?
The IUPAC name of 3-(2-cyanophenyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide (CID 141117062) is 3-(2-cyanophenyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide.
What is the SMILES notation for 3-(2-cyanophenyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide?
The canonical SMILES for 3-(2-cyanophenyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide is C[C@@H](NC(=O)c1cccc(-c2ccccc2C#N)c1)c1ccc(F)cc1.
What is the InChIKey of 3-(2-cyanophenyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide?
The InChIKey is SIIVZFREJAHKFW-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H17FN2O/c1-15(16-9-11-20(23)12-10-16)25-22(26)18-7-4-6-17(13-18)21-8-3-2-5-19(21)14-24/h2-13,15H,1H3,(H,25,26)/t15-/m1/s1.
What are the key properties of 3-(2-cyanophenyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide?
3-(2-cyanophenyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide has a molecular weight of 344.39 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyanophenyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide is sourced from PubChem (CID 141117062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).