(2S)-2-ethyl-N-[2-(trifluoromethyl)phenyl]hexanamide

C15H20F3NO — CID 7321292

IUPAC(2S)-2-ethyl-N-[2-(trifluoromethyl)phenyl]hexanamide
SMILESCCCC[C@H](CC)C(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C15H20F3NO/c1-3-5-8-11(4-2)14(20)19-13-10-7-6-9-12(13)15(16,17)18/h6-7,9-11H,3-5,8H2,1-2H3,(H,19,20)/t11-/m0/s1
InChIKeyJEKYQCMOACNJEH-NSHDSACASA-N
MW287.32 g/mol
LogP4.86
Rot. Bonds6

About (2S)-2-ethyl-N-[2-(trifluoromethyl)phenyl]hexanamide

(2S)-2-ethyl-N-[2-(trifluoromethyl)phenyl]hexanamide (PubChem CID 7321292) has the molecular formula C15H20F3NO and a molecular weight of 287.32 g/mol. Its IUPAC name is (2S)-2-ethyl-N-[2-(trifluoromethyl)phenyl]hexanamide.

Molecular Properties

Compound Name(2S)-2-ethyl-N-[2-(trifluoromethyl)phenyl]hexanamide
PubChem CID7321292
Molecular FormulaC15H20F3NO
Molecular Weight287.32 g/mol
Exact Mass287.15
IUPAC Name(2S)-2-ethyl-N-[2-(trifluoromethyl)phenyl]hexanamide
SMILESCCCC[C@H](CC)C(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C15H20F3NO/c1-3-5-8-11(4-2)14(20)19-13-10-7-6-9-12(13)15(16,17)18/h6-7,9-11H,3-5,8H2,1-2H3,(H,19,20)/t11-/m0/s1
InChIKeyJEKYQCMOACNJEH-NSHDSACASA-N
XLogP4.86
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-amino-2-(trifluoromethyl)phenyl]-2-ethylhexanamide
CID 43548371
2-ethyl-N-naphthalen-1-ylhexanamide
CID 3580350
2-[[[2-(trifluoromethyl)phenyl]carbamoylamino]methyl]butanoic acid
CID 65219510
methyl 2-(2-ethylhexanoylamino)benzoate
CID 4589929
2-(2-ethylhexanoylamino)-6-fluorobenzoic acid
CID 43442827
N-pentyl-N'-[2-(trifluoromethyl)phenyl]propanediamide
CID 108951939
(2S)-2-amino-3-methyl-N-[2-(trifluoromethyl)phenyl]pentanamide;hydrochloride
CID 52986036
3-(ethylamino)-2-methyl-N-[2-(trifluoromethyl)phenyl]propanamide
CID 62853226
2-(pentylamino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 109005975
(2S,7S)-7-ethyl-N-(2-methylphenyl)-2-pentylundecanamide
CID 92692901
1-heptan-2-yl-3-[2-(trifluoromethyl)phenyl]thiourea
CID 19650949
2-methoxy-N-[2-(trifluoromethyl)phenyl]propanamide
CID 113225450

Frequently Asked Questions

What is the IUPAC name of (2S)-2-ethyl-N-[2-(trifluoromethyl)phenyl]hexanamide?
The IUPAC name of (2S)-2-ethyl-N-[2-(trifluoromethyl)phenyl]hexanamide (CID 7321292) is (2S)-2-ethyl-N-[2-(trifluoromethyl)phenyl]hexanamide.
What is the SMILES notation for (2S)-2-ethyl-N-[2-(trifluoromethyl)phenyl]hexanamide?
The canonical SMILES for (2S)-2-ethyl-N-[2-(trifluoromethyl)phenyl]hexanamide is CCCC[C@H](CC)C(=O)Nc1ccccc1C(F)(F)F.
What is the InChIKey of (2S)-2-ethyl-N-[2-(trifluoromethyl)phenyl]hexanamide?
The InChIKey is JEKYQCMOACNJEH-NSHDSACASA-N. The full InChI is InChI=1S/C15H20F3NO/c1-3-5-8-11(4-2)14(20)19-13-10-7-6-9-12(13)15(16,17)18/h6-7,9-11H,3-5,8H2,1-2H3,(H,19,20)/t11-/m0/s1.
What are the key properties of (2S)-2-ethyl-N-[2-(trifluoromethyl)phenyl]hexanamide?
(2S)-2-ethyl-N-[2-(trifluoromethyl)phenyl]hexanamide has a molecular weight of 287.32 g/mol, XLogP of 4.86, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-ethyl-N-[2-(trifluoromethyl)phenyl]hexanamide is sourced from PubChem (CID 7321292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).