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

C15H9F3N2O — CID 2684239

IUPAC4-cyano-N-[4-(trifluoromethyl)phenyl]benzamide
SMILESN#Cc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C15H9F3N2O/c16-15(17,18)12-5-7-13(8-6-12)20-14(21)11-3-1-10(9-19)2-4-11/h1-8H,(H,20,21)
InChIKeyTYNDOZZGRLJSBF-UHFFFAOYSA-N
MW290.24 g/mol
LogP3.83
Rot. Bonds2

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

4-cyano-N-[4-(trifluoromethyl)phenyl]benzamide (PubChem CID 2684239) has the molecular formula C15H9F3N2O and a molecular weight of 290.24 g/mol. Its IUPAC name is 4-cyano-N-[4-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-cyano-N-[4-(trifluoromethyl)phenyl]benzamide
PubChem CID2684239
Molecular FormulaC15H9F3N2O
Molecular Weight290.24 g/mol
Exact Mass290.07
IUPAC Name4-cyano-N-[4-(trifluoromethyl)phenyl]benzamide
SMILESN#Cc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C15H9F3N2O/c16-15(17,18)12-5-7-13(8-6-12)20-14(21)11-3-1-10(9-19)2-4-11/h1-8H,(H,20,21)
InChIKeyTYNDOZZGRLJSBF-UHFFFAOYSA-N
XLogP3.83
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.24
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[4-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 4-cyano-N-[4-(trifluoromethyl)phenyl]benzamide (CID 2684239) is 4-cyano-N-[4-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 4-cyano-N-[4-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 4-cyano-N-[4-(trifluoromethyl)phenyl]benzamide is N#Cc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of 4-cyano-N-[4-(trifluoromethyl)phenyl]benzamide?
The InChIKey is TYNDOZZGRLJSBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F3N2O/c16-15(17,18)12-5-7-13(8-6-12)20-14(21)11-3-1-10(9-19)2-4-11/h1-8H,(H,20,21).
What are the key properties of 4-cyano-N-[4-(trifluoromethyl)phenyl]benzamide?
4-cyano-N-[4-(trifluoromethyl)phenyl]benzamide has a molecular weight of 290.24 g/mol, XLogP of 3.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[4-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 2684239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).