4-[[2-(trifluoromethyl)quinolin-4-yl]methyl]benzamide

C18H13F3N2O — CID 22392850

IUPAC4-[[2-(trifluoromethyl)quinolin-4-yl]methyl]benzamide
SMILESNC(=O)c1ccc(Cc2cc(C(F)(F)F)nc3ccccc23)cc1
InChIInChI=1S/C18H13F3N2O/c19-18(20,21)16-10-13(14-3-1-2-4-15(14)23-16)9-11-5-7-12(8-6-11)17(22)24/h1-8,10H,9H2,(H2,22,24)
InChIKeyWNNODFGQDZAOKW-UHFFFAOYSA-N
MW330.31 g/mol
LogP3.94
Rot. Bonds3

About 4-[[2-(trifluoromethyl)quinolin-4-yl]methyl]benzamide

4-[[2-(trifluoromethyl)quinolin-4-yl]methyl]benzamide (PubChem CID 22392850) has the molecular formula C18H13F3N2O and a molecular weight of 330.31 g/mol. Its IUPAC name is 4-[[2-(trifluoromethyl)quinolin-4-yl]methyl]benzamide.

Molecular Properties

Compound Name4-[[2-(trifluoromethyl)quinolin-4-yl]methyl]benzamide
PubChem CID22392850
Molecular FormulaC18H13F3N2O
Molecular Weight330.31 g/mol
Exact Mass330.10
IUPAC Name4-[[2-(trifluoromethyl)quinolin-4-yl]methyl]benzamide
SMILESNC(=O)c1ccc(Cc2cc(C(F)(F)F)nc3ccccc23)cc1
InChIInChI=1S/C18H13F3N2O/c19-18(20,21)16-10-13(14-3-1-2-4-15(14)23-16)9-11-5-7-12(8-6-11)17(22)24/h1-8,10H,9H2,(H2,22,24)
InChIKeyWNNODFGQDZAOKW-UHFFFAOYSA-N
XLogP3.94
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.31
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(trifluoromethyl)quinolin-4-yl]methyl]benzamide?
The IUPAC name of 4-[[2-(trifluoromethyl)quinolin-4-yl]methyl]benzamide (CID 22392850) is 4-[[2-(trifluoromethyl)quinolin-4-yl]methyl]benzamide.
What is the SMILES notation for 4-[[2-(trifluoromethyl)quinolin-4-yl]methyl]benzamide?
The canonical SMILES for 4-[[2-(trifluoromethyl)quinolin-4-yl]methyl]benzamide is NC(=O)c1ccc(Cc2cc(C(F)(F)F)nc3ccccc23)cc1.
What is the InChIKey of 4-[[2-(trifluoromethyl)quinolin-4-yl]methyl]benzamide?
The InChIKey is WNNODFGQDZAOKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N2O/c19-18(20,21)16-10-13(14-3-1-2-4-15(14)23-16)9-11-5-7-12(8-6-11)17(22)24/h1-8,10H,9H2,(H2,22,24).
What are the key properties of 4-[[2-(trifluoromethyl)quinolin-4-yl]methyl]benzamide?
4-[[2-(trifluoromethyl)quinolin-4-yl]methyl]benzamide has a molecular weight of 330.31 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(trifluoromethyl)quinolin-4-yl]methyl]benzamide is sourced from PubChem (CID 22392850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).