5-amino-N-[4-(trifluoromethoxy)phenyl]hexanamide

C13H17F3N2O2 — CID 82848288

IUPAC5-amino-N-[4-(trifluoromethoxy)phenyl]hexanamide
SMILESCC(N)CCCC(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C13H17F3N2O2/c1-9(17)3-2-4-12(19)18-10-5-7-11(8-6-10)20-13(14,15)16/h5-9H,2-4,17H2,1H3,(H,18,19)
InChIKeyJLOAVVJQDIPCAZ-UHFFFAOYSA-N
MW290.29 g/mol
LogP3.04
Rot. Bonds6

About 5-amino-N-[4-(trifluoromethoxy)phenyl]hexanamide

5-amino-N-[4-(trifluoromethoxy)phenyl]hexanamide (PubChem CID 82848288) has the molecular formula C13H17F3N2O2 and a molecular weight of 290.29 g/mol. Its IUPAC name is 5-amino-N-[4-(trifluoromethoxy)phenyl]hexanamide.

Molecular Properties

Compound Name5-amino-N-[4-(trifluoromethoxy)phenyl]hexanamide
PubChem CID82848288
Molecular FormulaC13H17F3N2O2
Molecular Weight290.29 g/mol
Exact Mass290.12
IUPAC Name5-amino-N-[4-(trifluoromethoxy)phenyl]hexanamide
SMILESCC(N)CCCC(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C13H17F3N2O2/c1-9(17)3-2-4-12(19)18-10-5-7-11(8-6-10)20-13(14,15)16/h5-9H,2-4,17H2,1H3,(H,18,19)
InChIKeyJLOAVVJQDIPCAZ-UHFFFAOYSA-N
XLogP3.04
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[4-(trifluoromethoxy)phenyl]butanamide;hydrochloride
CID 119262786
5-amino-N-[3-bromo-4-(trifluoromethoxy)phenyl]hexanamide
CID 107336414
5-amino-N-(4-fluorophenyl)hexanamide
CID 82848209
5-amino-N-[4-(carbamoylamino)phenyl]hexanamide
CID 82848160
5-hydroxy-N-[4-(trifluoromethoxy)phenyl]pentanamide
CID 79198633
5-amino-N-(4-bromophenyl)hexanamide
CID 82848125
N-(4-acetylphenyl)-5-aminohexanamide
CID 82852023
6,8-bis(sulfanyl)-N-[4-(trifluoromethoxy)phenyl]octanamide
CID 46871092
4-(5-aminohexanoylamino)-N-propan-2-ylbenzamide
CID 82849341
N'-[4-(trifluoromethoxy)phenyl]propanediamide
CID 140529911
5-amino-N-(3,4-difluorophenyl)hexanamide
CID 82848790
[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]-propan-2-ylazanium
CID 2098849

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[4-(trifluoromethoxy)phenyl]hexanamide?
The IUPAC name of 5-amino-N-[4-(trifluoromethoxy)phenyl]hexanamide (CID 82848288) is 5-amino-N-[4-(trifluoromethoxy)phenyl]hexanamide.
What is the SMILES notation for 5-amino-N-[4-(trifluoromethoxy)phenyl]hexanamide?
The canonical SMILES for 5-amino-N-[4-(trifluoromethoxy)phenyl]hexanamide is CC(N)CCCC(=O)Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 5-amino-N-[4-(trifluoromethoxy)phenyl]hexanamide?
The InChIKey is JLOAVVJQDIPCAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O2/c1-9(17)3-2-4-12(19)18-10-5-7-11(8-6-10)20-13(14,15)16/h5-9H,2-4,17H2,1H3,(H,18,19).
What are the key properties of 5-amino-N-[4-(trifluoromethoxy)phenyl]hexanamide?
5-amino-N-[4-(trifluoromethoxy)phenyl]hexanamide has a molecular weight of 290.29 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[4-(trifluoromethoxy)phenyl]hexanamide is sourced from PubChem (CID 82848288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).