(2S)-2-benzyl-4,4,4-trifluoro-N-(8-fluoroquinolin-3-yl)-2-methylbutanamide

C21H18F4N2O — CID 142432657

IUPAC(2S)-2-benzyl-4,4,4-trifluoro-N-(8-fluoroquinolin-3-yl)-2-methylbutanamide
SMILESC[C@](Cc1ccccc1)(CC(F)(F)F)C(=O)Nc1cnc2c(F)cccc2c1
InChIInChI=1S/C21H18F4N2O/c1-20(13-21(23,24)25,11-14-6-3-2-4-7-14)19(28)27-16-10-15-8-5-9-17(22)18(15)26-12-16/h2-10,12H,11,13H2,1H3,(H,27,28)/t20-/m0/s1
InChIKeySGGBLODDVGKPSF-FQEVSTJZSA-N
MW390.38 g/mol
LogP5.51
Rot. Bonds5

About (2S)-2-benzyl-4,4,4-trifluoro-N-(8-fluoroquinolin-3-yl)-2-methylbutanamide

(2S)-2-benzyl-4,4,4-trifluoro-N-(8-fluoroquinolin-3-yl)-2-methylbutanamide (PubChem CID 142432657) has the molecular formula C21H18F4N2O and a molecular weight of 390.38 g/mol. Its IUPAC name is (2S)-2-benzyl-4,4,4-trifluoro-N-(8-fluoroquinolin-3-yl)-2-methylbutanamide.

Molecular Properties

Compound Name(2S)-2-benzyl-4,4,4-trifluoro-N-(8-fluoroquinolin-3-yl)-2-methylbutanamide
PubChem CID142432657
Molecular FormulaC21H18F4N2O
Molecular Weight390.38 g/mol
Exact Mass390.14
IUPAC Name(2S)-2-benzyl-4,4,4-trifluoro-N-(8-fluoroquinolin-3-yl)-2-methylbutanamide
SMILESC[C@](Cc1ccccc1)(CC(F)(F)F)C(=O)Nc1cnc2c(F)cccc2c1
InChIInChI=1S/C21H18F4N2O/c1-20(13-21(23,24)25,11-14-6-3-2-4-7-14)19(28)27-16-10-15-8-5-9-17(22)18(15)26-12-16/h2-10,12H,11,13H2,1H3,(H,27,28)/t20-/m0/s1
InChIKeySGGBLODDVGKPSF-FQEVSTJZSA-N
XLogP5.51
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.38
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-benzyl-N-(8-fluoroquinolin-3-yl)-2,4,4-trimethylpentanamide
CID 166964989
2-benzyl-3-(1-fluorocyclopropyl)-N-(8-fluoroquinolin-3-yl)-2-methylpropanamide
CID 147294248
2-(cyclobutyloxymethyl)-4,4,4-trifluoro-N-(8-fluoroquinolin-3-yl)-2-methylbutanamide
CID 138478424
2-benzyl-4,4,4-trifluoro-N-(8-fluoroquinolin-3-yl)-N-(methoxymethyl)-2-methylbutanamide
CID 149444066
2-benzyl-N-(8-fluoro-2-methylquinolin-3-yl)-2-methylpent-4-ynamide
CID 146818531
8-fluoro-N-(4,4,4-trifluoro-2-phenylbutan-2-yl)quinoline-3-carboxamide
CID 175312240
2-benzyl-N-(8-fluoro-2-methylquinolin-3-yl)-2,4-dimethylpent-4-enamide
CID 146469708
8-fluoro-N-(2-methyl-1-oxo-3-phenylpropan-2-yl)quinoline-3-carboxamide
CID 130421211
8-fluoro-N-[(2S)-4,4,4-trifluoro-1-(3-fluorophenyl)-2-methylbutan-2-yl]quinoline-3-carboxamide
CID 155126033
N-(2,4-dimethyl-1-phenylpent-4-en-2-yl)-8-fluoroquinoline-3-carboxamide
CID 130405989
(2R)-2-benzyl-N-(8-fluoro-4-methylquinolin-3-yl)-2,4-dimethylpent-4-enamide
CID 148598876
(2R)-4,4,4-trifluoro-2-(2-fluorophenyl)-2-methyl-N-phenylbutanamide
CID 164686623

Frequently Asked Questions

What is the IUPAC name of (2S)-2-benzyl-4,4,4-trifluoro-N-(8-fluoroquinolin-3-yl)-2-methylbutanamide?
The IUPAC name of (2S)-2-benzyl-4,4,4-trifluoro-N-(8-fluoroquinolin-3-yl)-2-methylbutanamide (CID 142432657) is (2S)-2-benzyl-4,4,4-trifluoro-N-(8-fluoroquinolin-3-yl)-2-methylbutanamide.
What is the SMILES notation for (2S)-2-benzyl-4,4,4-trifluoro-N-(8-fluoroquinolin-3-yl)-2-methylbutanamide?
The canonical SMILES for (2S)-2-benzyl-4,4,4-trifluoro-N-(8-fluoroquinolin-3-yl)-2-methylbutanamide is C[C@](Cc1ccccc1)(CC(F)(F)F)C(=O)Nc1cnc2c(F)cccc2c1.
What is the InChIKey of (2S)-2-benzyl-4,4,4-trifluoro-N-(8-fluoroquinolin-3-yl)-2-methylbutanamide?
The InChIKey is SGGBLODDVGKPSF-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H18F4N2O/c1-20(13-21(23,24)25,11-14-6-3-2-4-7-14)19(28)27-16-10-15-8-5-9-17(22)18(15)26-12-16/h2-10,12H,11,13H2,1H3,(H,27,28)/t20-/m0/s1.
What are the key properties of (2S)-2-benzyl-4,4,4-trifluoro-N-(8-fluoroquinolin-3-yl)-2-methylbutanamide?
(2S)-2-benzyl-4,4,4-trifluoro-N-(8-fluoroquinolin-3-yl)-2-methylbutanamide has a molecular weight of 390.38 g/mol, XLogP of 5.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-benzyl-4,4,4-trifluoro-N-(8-fluoroquinolin-3-yl)-2-methylbutanamide is sourced from PubChem (CID 142432657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).