N-(2-quinolin-2-ylethyl)-3-(trifluoromethyl)benzamide

C19H15F3N2O — CID 172890631

IUPACN-(2-quinolin-2-ylethyl)-3-(trifluoromethyl)benzamide
SMILESO=C(NCCc1ccc2ccccc2n1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H15F3N2O/c20-19(21,22)15-6-3-5-14(12-15)18(25)23-11-10-16-9-8-13-4-1-2-7-17(13)24-16/h1-9,12H,10-11H2,(H,23,25)
InChIKeyHNDYXRCEZOOBFA-UHFFFAOYSA-N
MW344.34 g/mol
LogP4.23
Rot. Bonds4

About N-(2-quinolin-2-ylethyl)-3-(trifluoromethyl)benzamide

N-(2-quinolin-2-ylethyl)-3-(trifluoromethyl)benzamide (PubChem CID 172890631) has the molecular formula C19H15F3N2O and a molecular weight of 344.34 g/mol. Its IUPAC name is N-(2-quinolin-2-ylethyl)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(2-quinolin-2-ylethyl)-3-(trifluoromethyl)benzamide
PubChem CID172890631
Molecular FormulaC19H15F3N2O
Molecular Weight344.34 g/mol
Exact Mass344.11
IUPAC NameN-(2-quinolin-2-ylethyl)-3-(trifluoromethyl)benzamide
SMILESO=C(NCCc1ccc2ccccc2n1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H15F3N2O/c20-19(21,22)15-6-3-5-14(12-15)18(25)23-11-10-16-9-8-13-4-1-2-7-17(13)24-16/h1-9,12H,10-11H2,(H,23,25)
InChIKeyHNDYXRCEZOOBFA-UHFFFAOYSA-N
XLogP4.23
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.34
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-quinolin-2-ylethyl)-3-(trifluoromethyl)benzamide?
The IUPAC name of N-(2-quinolin-2-ylethyl)-3-(trifluoromethyl)benzamide (CID 172890631) is N-(2-quinolin-2-ylethyl)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(2-quinolin-2-ylethyl)-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-(2-quinolin-2-ylethyl)-3-(trifluoromethyl)benzamide is O=C(NCCc1ccc2ccccc2n1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(2-quinolin-2-ylethyl)-3-(trifluoromethyl)benzamide?
The InChIKey is HNDYXRCEZOOBFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N2O/c20-19(21,22)15-6-3-5-14(12-15)18(25)23-11-10-16-9-8-13-4-1-2-7-17(13)24-16/h1-9,12H,10-11H2,(H,23,25).
What are the key properties of N-(2-quinolin-2-ylethyl)-3-(trifluoromethyl)benzamide?
N-(2-quinolin-2-ylethyl)-3-(trifluoromethyl)benzamide has a molecular weight of 344.34 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-quinolin-2-ylethyl)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 172890631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).