2-butyl-N-quinolin-8-yl-5-(trifluoromethyl)benzamide

C21H19F3N2O — CID 71657963

IUPAC2-butyl-N-quinolin-8-yl-5-(trifluoromethyl)benzamide
SMILESCCCCc1ccc(C(F)(F)F)cc1C(=O)Nc1cccc2cccnc12
InChIInChI=1S/C21H19F3N2O/c1-2-3-6-14-10-11-16(21(22,23)24)13-17(14)20(27)26-18-9-4-7-15-8-5-12-25-19(15)18/h4-5,7-13H,2-3,6H2,1H3,(H,26,27)
InChIKeyKJKOQTGRLHMGFI-UHFFFAOYSA-N
MW372.39 g/mol
LogP5.85
Rot. Bonds5

About 2-butyl-N-quinolin-8-yl-5-(trifluoromethyl)benzamide

2-butyl-N-quinolin-8-yl-5-(trifluoromethyl)benzamide (PubChem CID 71657963) has the molecular formula C21H19F3N2O and a molecular weight of 372.39 g/mol. Its IUPAC name is 2-butyl-N-quinolin-8-yl-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-butyl-N-quinolin-8-yl-5-(trifluoromethyl)benzamide
PubChem CID71657963
Molecular FormulaC21H19F3N2O
Molecular Weight372.39 g/mol
Exact Mass372.14
IUPAC Name2-butyl-N-quinolin-8-yl-5-(trifluoromethyl)benzamide
SMILESCCCCc1ccc(C(F)(F)F)cc1C(=O)Nc1cccc2cccnc12
InChIInChI=1S/C21H19F3N2O/c1-2-3-6-14-10-11-16(21(22,23)24)13-17(14)20(27)26-18-9-4-7-15-8-5-12-25-19(15)18/h4-5,7-13H,2-3,6H2,1H3,(H,26,27)
InChIKeyKJKOQTGRLHMGFI-UHFFFAOYSA-N
XLogP5.85
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.39
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-butyl-3-(quinolin-8-ylcarbamoyl)phenyl] acetate
CID 135057451
2-anilino-N-quinolin-8-yl-5-(trifluoromethyl)benzamide
CID 134849172
2-(2-pyridin-2-ylphenyl)-N-quinolin-8-yl-5-(trifluoromethyl)benzamide
CID 132546156
5-methyl-2-(2-phenylethyl)-N-quinolin-8-ylbenzamide
CID 102133728
N'-quinolin-8-yl-N-[3-(trifluoromethyl)phenyl]propanediamide
CID 108956077
8-hydroxy-N-[2-methoxy-5-(trifluoromethyl)phenyl]quinoline-7-carboxamide
CID 18372533
5-(butylamino)-N-quinolin-8-ylpyridine-2-carboxamide
CID 109180980
2-[(E)-pent-2-enyl]-N-quinolin-8-yl-6-(trifluoromethyl)benzamide
CID 132547082
2-bromo-N-(2-bromo-3-pyridinyl)-5-(trifluoromethyl)benzamide
CID 103819418
N-quinolin-8-ylundecanamide
CID 3567928
3-fluoro-2-hydroxy-N-quinolin-8-ylbenzamide
CID 46846762
3-fluoro-N-quinolin-8-yl-2,6-bis(2-triethylsilylethyl)benzamide
CID 177414845

Frequently Asked Questions

What is the IUPAC name of 2-butyl-N-quinolin-8-yl-5-(trifluoromethyl)benzamide?
The IUPAC name of 2-butyl-N-quinolin-8-yl-5-(trifluoromethyl)benzamide (CID 71657963) is 2-butyl-N-quinolin-8-yl-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-butyl-N-quinolin-8-yl-5-(trifluoromethyl)benzamide?
The canonical SMILES for 2-butyl-N-quinolin-8-yl-5-(trifluoromethyl)benzamide is CCCCc1ccc(C(F)(F)F)cc1C(=O)Nc1cccc2cccnc12.
What is the InChIKey of 2-butyl-N-quinolin-8-yl-5-(trifluoromethyl)benzamide?
The InChIKey is KJKOQTGRLHMGFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N2O/c1-2-3-6-14-10-11-16(21(22,23)24)13-17(14)20(27)26-18-9-4-7-15-8-5-12-25-19(15)18/h4-5,7-13H,2-3,6H2,1H3,(H,26,27).
What are the key properties of 2-butyl-N-quinolin-8-yl-5-(trifluoromethyl)benzamide?
2-butyl-N-quinolin-8-yl-5-(trifluoromethyl)benzamide has a molecular weight of 372.39 g/mol, XLogP of 5.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-N-quinolin-8-yl-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 71657963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).