N-[1-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]ethyl]benzamide

C21H17F3N2O — CID 58484074

IUPACN-[1-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]ethyl]benzamide
SMILESCC(NC(=O)c1ccccc1)c1cccc(-c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C21H17F3N2O/c1-14(25-20(27)15-7-3-2-4-8-15)18-11-6-12-19(26-18)16-9-5-10-17(13-16)21(22,23)24/h2-14H,1H3,(H,25,27)
InChIKeyYUTGNDNMOFRXCL-UHFFFAOYSA-N
MW370.37 g/mol
LogP5.26
Rot. Bonds4

About N-[1-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]ethyl]benzamide

N-[1-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]ethyl]benzamide (PubChem CID 58484074) has the molecular formula C21H17F3N2O and a molecular weight of 370.37 g/mol. Its IUPAC name is N-[1-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]ethyl]benzamide.

Molecular Properties

Compound NameN-[1-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]ethyl]benzamide
PubChem CID58484074
Molecular FormulaC21H17F3N2O
Molecular Weight370.37 g/mol
Exact Mass370.13
IUPAC NameN-[1-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]ethyl]benzamide
SMILESCC(NC(=O)c1ccccc1)c1cccc(-c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C21H17F3N2O/c1-14(25-20(27)15-7-3-2-4-8-15)18-11-6-12-19(26-18)16-9-5-10-17(13-16)21(22,23)24/h2-14H,1H3,(H,25,27)
InChIKeyYUTGNDNMOFRXCL-UHFFFAOYSA-N
XLogP5.26
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.37
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]ethyl]benzamide?
The IUPAC name of N-[1-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]ethyl]benzamide (CID 58484074) is N-[1-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]ethyl]benzamide.
What is the SMILES notation for N-[1-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]ethyl]benzamide?
The canonical SMILES for N-[1-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]ethyl]benzamide is CC(NC(=O)c1ccccc1)c1cccc(-c2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of N-[1-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]ethyl]benzamide?
The InChIKey is YUTGNDNMOFRXCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N2O/c1-14(25-20(27)15-7-3-2-4-8-15)18-11-6-12-19(26-18)16-9-5-10-17(13-16)21(22,23)24/h2-14H,1H3,(H,25,27).
What are the key properties of N-[1-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]ethyl]benzamide?
N-[1-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]ethyl]benzamide has a molecular weight of 370.37 g/mol, XLogP of 5.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]ethyl]benzamide is sourced from PubChem (CID 58484074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).