8-fluoro-N-(4,4,4-trifluoro-2-phenylbutan-2-yl)quinoline-3-carboxamide

C20H16F4N2O — CID 175312240

IUPAC8-fluoro-N-(4,4,4-trifluoro-2-phenylbutan-2-yl)quinoline-3-carboxamide
SMILESCC(CC(F)(F)F)(NC(=O)c1cnc2c(F)cccc2c1)c1ccccc1
InChIInChI=1S/C20H16F4N2O/c1-19(12-20(22,23)24,15-7-3-2-4-8-15)26-18(27)14-10-13-6-5-9-16(21)17(13)25-11-14/h2-11H,12H2,1H3,(H,26,27)
InChIKeyQHAUXCGDXYMMKN-UHFFFAOYSA-N
MW376.35 g/mol
LogP4.97
Rot. Bonds4

About 8-fluoro-N-(4,4,4-trifluoro-2-phenylbutan-2-yl)quinoline-3-carboxamide

8-fluoro-N-(4,4,4-trifluoro-2-phenylbutan-2-yl)quinoline-3-carboxamide (PubChem CID 175312240) has the molecular formula C20H16F4N2O and a molecular weight of 376.35 g/mol. Its IUPAC name is 8-fluoro-N-(4,4,4-trifluoro-2-phenylbutan-2-yl)quinoline-3-carboxamide.

Molecular Properties

Compound Name8-fluoro-N-(4,4,4-trifluoro-2-phenylbutan-2-yl)quinoline-3-carboxamide
PubChem CID175312240
Molecular FormulaC20H16F4N2O
Molecular Weight376.35 g/mol
Exact Mass376.12
IUPAC Name8-fluoro-N-(4,4,4-trifluoro-2-phenylbutan-2-yl)quinoline-3-carboxamide
SMILESCC(CC(F)(F)F)(NC(=O)c1cnc2c(F)cccc2c1)c1ccccc1
InChIInChI=1S/C20H16F4N2O/c1-19(12-20(22,23)24,15-7-3-2-4-8-15)26-18(27)14-10-13-6-5-9-16(21)17(13)25-11-14/h2-11H,12H2,1H3,(H,26,27)
InChIKeyQHAUXCGDXYMMKN-UHFFFAOYSA-N
XLogP4.97
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.35
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-fluoro-N-[(2S)-4,4,4-trifluoro-1-(3-fluorophenyl)-2-methylbutan-2-yl]quinoline-3-carboxamide
CID 155126033
8-fluoro-N-(2-methyl-1-oxo-3-phenylpropan-2-yl)quinoline-3-carboxamide
CID 130421211
8-fluoro-N-(2-methylheptan-2-yl)quinoline-3-carboxamide
CID 155104955
N-(2,4-dimethyl-1-phenylpent-4-en-2-yl)-8-fluoroquinoline-3-carboxamide
CID 130405989
8-fluoro-N-[4,4,4-trifluoro-2-methyl-1-(oxan-3-yl)butan-2-yl]quinoline-3-carboxamide
CID 155089008
N-(4-ethyl-2,6-dimethylhepta-1,6-dien-4-yl)-8-fluoroquinoline-3-carboxamide
CID 162488168
8-fluoroquinoline-3-carboxylic acid;hydrate
CID 90668422
1-(8-fluoroquinolin-3-yl)ethanone
CID 75355413
2-[(8-fluoroquinoline-3-carbonyl)amino]propanoic acid
CID 110489629
(2S)-2-benzyl-4,4,4-trifluoro-N-(8-fluoroquinolin-3-yl)-2-methylbutanamide
CID 142432657
methyl 3-[(8-fluoroquinoline-3-carbonyl)amino]propanoate
CID 110489648
N-(1-cyclohexyloxy-4-fluoro-2-methylbutan-2-yl)-8-fluoroquinoline-3-carboxamide
CID 166883410

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-N-(4,4,4-trifluoro-2-phenylbutan-2-yl)quinoline-3-carboxamide?
The IUPAC name of 8-fluoro-N-(4,4,4-trifluoro-2-phenylbutan-2-yl)quinoline-3-carboxamide (CID 175312240) is 8-fluoro-N-(4,4,4-trifluoro-2-phenylbutan-2-yl)quinoline-3-carboxamide.
What is the SMILES notation for 8-fluoro-N-(4,4,4-trifluoro-2-phenylbutan-2-yl)quinoline-3-carboxamide?
The canonical SMILES for 8-fluoro-N-(4,4,4-trifluoro-2-phenylbutan-2-yl)quinoline-3-carboxamide is CC(CC(F)(F)F)(NC(=O)c1cnc2c(F)cccc2c1)c1ccccc1.
What is the InChIKey of 8-fluoro-N-(4,4,4-trifluoro-2-phenylbutan-2-yl)quinoline-3-carboxamide?
The InChIKey is QHAUXCGDXYMMKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F4N2O/c1-19(12-20(22,23)24,15-7-3-2-4-8-15)26-18(27)14-10-13-6-5-9-16(21)17(13)25-11-14/h2-11H,12H2,1H3,(H,26,27).
What are the key properties of 8-fluoro-N-(4,4,4-trifluoro-2-phenylbutan-2-yl)quinoline-3-carboxamide?
8-fluoro-N-(4,4,4-trifluoro-2-phenylbutan-2-yl)quinoline-3-carboxamide has a molecular weight of 376.35 g/mol, XLogP of 4.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-N-(4,4,4-trifluoro-2-phenylbutan-2-yl)quinoline-3-carboxamide is sourced from PubChem (CID 175312240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).