4-cyano-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide

C16H11F3N2O — CID 18291756

IUPAC4-cyano-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
SMILESN#Cc1ccc(C(=O)NCc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C16H11F3N2O/c17-16(18,19)14-3-1-2-12(8-14)10-21-15(22)13-6-4-11(9-20)5-7-13/h1-8H,10H2,(H,21,22)
InChIKeyIOYCKBHMXUXUMH-UHFFFAOYSA-N
MW304.27 g/mol
LogP3.51
Rot. Bonds3

About 4-cyano-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide

4-cyano-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide (PubChem CID 18291756) has the molecular formula C16H11F3N2O and a molecular weight of 304.27 g/mol. Its IUPAC name is 4-cyano-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-cyano-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
PubChem CID18291756
Molecular FormulaC16H11F3N2O
Molecular Weight304.27 g/mol
Exact Mass304.08
IUPAC Name4-cyano-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
SMILESN#Cc1ccc(C(=O)NCc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C16H11F3N2O/c17-16(18,19)14-3-1-2-12(8-14)10-21-15(22)13-6-4-11(9-20)5-7-13/h1-8H,10H2,(H,21,22)
InChIKeyIOYCKBHMXUXUMH-UHFFFAOYSA-N
XLogP3.51
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 107020234
4-(dimethylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 27515025
3-(trifluoromethyl)-N-[[3-[[[3-(trifluoromethyl)benzoyl]amino]methyl]phenyl]methyl]benzamide
CID 4076220
N-benzyl-4-cyano(111C)cyclohexa-1,3,5-triene-1-carboxamide
CID 177456736
2-[3-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 26241577
N-[[3-(trifluoromethyl)phenyl]methyl]furan-3-carboxamide
CID 27515082
N-[[3-(trifluoromethyl)phenyl]methyl]thiophene-3-carboxamide
CID 17436374
N-[2-oxo-2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl]benzamide
CID 26887208
4-[(E)-3-methylbut-1-enyl]-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 59811276
N-[(3-cyanophenyl)methyl]-4-sulfanylbenzamide
CID 107028201
1-N-benzyl-4-N-[3-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide
CID 109046746
4-(phenylsulfamoyl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 2105846

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide?
The IUPAC name of 4-cyano-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide (CID 18291756) is 4-cyano-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 4-cyano-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide?
The canonical SMILES for 4-cyano-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide is N#Cc1ccc(C(=O)NCc2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of 4-cyano-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide?
The InChIKey is IOYCKBHMXUXUMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2O/c17-16(18,19)14-3-1-2-12(8-14)10-21-15(22)13-6-4-11(9-20)5-7-13/h1-8H,10H2,(H,21,22).
What are the key properties of 4-cyano-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide?
4-cyano-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide has a molecular weight of 304.27 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 18291756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).