2-ethyl-2-[(2,3,4,5,6-pentafluorophenyl)methyl]-N-quinolin-8-ylpentanamide

C23H21F5N2O — CID 166442775

IUPAC2-ethyl-2-[(2,3,4,5,6-pentafluorophenyl)methyl]-N-quinolin-8-ylpentanamide
SMILESCCCC(CC)(Cc1c(F)c(F)c(F)c(F)c1F)C(=O)Nc1cccc2cccnc12
InChIInChI=1S/C23H21F5N2O/c1-3-10-23(4-2,12-14-16(24)18(26)20(28)19(27)17(14)25)22(31)30-15-9-5-7-13-8-6-11-29-21(13)15/h5-9,11H,3-4,10,12H2,1-2H3,(H,30,31)
InChIKeyFQFFSQUSJODINR-UHFFFAOYSA-N
MW436.42 g/mol
LogP6.31
Rot. Bonds7

About 2-ethyl-2-[(2,3,4,5,6-pentafluorophenyl)methyl]-N-quinolin-8-ylpentanamide

2-ethyl-2-[(2,3,4,5,6-pentafluorophenyl)methyl]-N-quinolin-8-ylpentanamide (PubChem CID 166442775) has the molecular formula C23H21F5N2O and a molecular weight of 436.42 g/mol. Its IUPAC name is 2-ethyl-2-[(2,3,4,5,6-pentafluorophenyl)methyl]-N-quinolin-8-ylpentanamide.

Molecular Properties

Compound Name2-ethyl-2-[(2,3,4,5,6-pentafluorophenyl)methyl]-N-quinolin-8-ylpentanamide
PubChem CID166442775
Molecular FormulaC23H21F5N2O
Molecular Weight436.42 g/mol
Exact Mass436.16
IUPAC Name2-ethyl-2-[(2,3,4,5,6-pentafluorophenyl)methyl]-N-quinolin-8-ylpentanamide
SMILESCCCC(CC)(Cc1c(F)c(F)c(F)c(F)c1F)C(=O)Nc1cccc2cccnc12
InChIInChI=1S/C23H21F5N2O/c1-3-10-23(4-2,12-14-16(24)18(26)20(28)19(27)17(14)25)22(31)30-15-9-5-7-13-8-6-11-29-21(13)15/h5-9,11H,3-4,10,12H2,1-2H3,(H,30,31)
InChIKeyFQFFSQUSJODINR-UHFFFAOYSA-N
XLogP6.31
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.42
LogP ≤ 56.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

4-tert-butyl-N-(quinolin-3-yl)benzamide
CID 797382
4-butyl-N-(quinolin-3-yl)benzamide
CID 1860395
Acetamide, 2,2,2-trifluoro-N-8-quinolinyl-
CID 148136
4-propyl-N-quinolin-3-ylbenzamide
CID 4298023
4-nonyl-N-quinolin-3-ylbenzamide
CID 4375060
3-[4-(Trifluoromethyl)phenyl]quinoxaline-5-carboxamide
CID 9922953
N-quinolin-3-yl-7-sulfanylheptanamide
CID 10379373
4-methyl-3-(2-(quinoxalin-2-yl)ethynyl)-N-(3-(trifluoromethyl)phenyl)benzamide
CID 16109024
N-(quinolin-8-yl)-6-(sulfamoylamino)hexanamide
CID 25216936
4-[methyl(nonyl)amino]-N-quinolin-3-ylbenzamide
CID 44450300
4-[methyl(octyl)amino]-N-quinolin-3-ylbenzamide
CID 44450313
4-[hexyl(methyl)amino]-N-quinolin-3-ylbenzamide
CID 44450322

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[(2,3,4,5,6-pentafluorophenyl)methyl]-N-quinolin-8-ylpentanamide?
The IUPAC name of 2-ethyl-2-[(2,3,4,5,6-pentafluorophenyl)methyl]-N-quinolin-8-ylpentanamide (CID 166442775) is 2-ethyl-2-[(2,3,4,5,6-pentafluorophenyl)methyl]-N-quinolin-8-ylpentanamide.
What is the SMILES notation for 2-ethyl-2-[(2,3,4,5,6-pentafluorophenyl)methyl]-N-quinolin-8-ylpentanamide?
The canonical SMILES for 2-ethyl-2-[(2,3,4,5,6-pentafluorophenyl)methyl]-N-quinolin-8-ylpentanamide is CCCC(CC)(Cc1c(F)c(F)c(F)c(F)c1F)C(=O)Nc1cccc2cccnc12.
What is the InChIKey of 2-ethyl-2-[(2,3,4,5,6-pentafluorophenyl)methyl]-N-quinolin-8-ylpentanamide?
The InChIKey is FQFFSQUSJODINR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F5N2O/c1-3-10-23(4-2,12-14-16(24)18(26)20(28)19(27)17(14)25)22(31)30-15-9-5-7-13-8-6-11-29-21(13)15/h5-9,11H,3-4,10,12H2,1-2H3,(H,30,31).
What are the key properties of 2-ethyl-2-[(2,3,4,5,6-pentafluorophenyl)methyl]-N-quinolin-8-ylpentanamide?
2-ethyl-2-[(2,3,4,5,6-pentafluorophenyl)methyl]-N-quinolin-8-ylpentanamide has a molecular weight of 436.42 g/mol, XLogP of 6.31, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[(2,3,4,5,6-pentafluorophenyl)methyl]-N-quinolin-8-ylpentanamide is sourced from PubChem (CID 166442775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).