6-(3-hydroxyphenoxy)-N-[2-(trifluoromethyl)-4-pyridinyl]hexanamide

C18H19F3N2O3 — CID 118730959

IUPAC6-(3-hydroxyphenoxy)-N-[2-(trifluoromethyl)-4-pyridinyl]hexanamide
SMILESO=C(CCCCCOc1cccc(O)c1)Nc1ccnc(C(F)(F)F)c1
InChIInChI=1S/C18H19F3N2O3/c19-18(20,21)16-11-13(8-9-22-16)23-17(25)7-2-1-3-10-26-15-6-4-5-14(24)12-15/h4-6,8-9,11-12,24H,1-3,7,10H2,(H,22,23,25)
InChIKeyMBKRQUAZSTZGFG-UHFFFAOYSA-N
MW368.36 g/mol
LogP4.38
Rot. Bonds8

About 6-(3-hydroxyphenoxy)-N-[2-(trifluoromethyl)-4-pyridinyl]hexanamide

6-(3-hydroxyphenoxy)-N-[2-(trifluoromethyl)-4-pyridinyl]hexanamide (PubChem CID 118730959) has the molecular formula C18H19F3N2O3 and a molecular weight of 368.36 g/mol. Its IUPAC name is 6-(3-hydroxyphenoxy)-N-[2-(trifluoromethyl)-4-pyridinyl]hexanamide.

Molecular Properties

Compound Name6-(3-hydroxyphenoxy)-N-[2-(trifluoromethyl)-4-pyridinyl]hexanamide
PubChem CID118730959
Molecular FormulaC18H19F3N2O3
Molecular Weight368.36 g/mol
Exact Mass368.13
IUPAC Name6-(3-hydroxyphenoxy)-N-[2-(trifluoromethyl)-4-pyridinyl]hexanamide
SMILESO=C(CCCCCOc1cccc(O)c1)Nc1ccnc(C(F)(F)F)c1
InChIInChI=1S/C18H19F3N2O3/c19-18(20,21)16-11-13(8-9-22-16)23-17(25)7-2-1-3-10-26-15-6-4-5-14(24)12-15/h4-6,8-9,11-12,24H,1-3,7,10H2,(H,22,23,25)
InChIKeyMBKRQUAZSTZGFG-UHFFFAOYSA-N
XLogP4.38
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.36
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

11-(3-hydroxyphenoxy)-N-(4-hydroxyphenyl)undecanamide
CID 11661005
6-(3-bromophenoxy)-N-(2-fluoro-4-pyridinyl)hexanamide
CID 118730983
N-(3-hydroxyphenyl)-4-pyridin-3-yloxybutanamide
CID 110487035
N,N'-bis(3-hexoxyphenyl)nonanediamide
CID 17094975
2-(3-hydroxyphenoxy)-1,2-dimethyl-N-[2-(trifluoromethyl)-4-pyridinyl]cyclopropane-1-carboxamide
CID 123604699
2-(4-tert-butylphenoxy)-N-[2-(trifluoromethyl)-4-pyridinyl]acetamide
CID 169075439
2-(4-methylphenoxy)-N-[2-(trifluoromethyl)-4-pyridinyl]acetamide
CID 166976301
N-(2-methyl-4-pyridinyl)-4-phenoxybutanamide
CID 110757265
N-(7-chlorohept-1-en-2-yl)-2-(trifluoromethyl)pyridin-4-amine
CID 144811176
N-(3-hydroxyphenyl)nonadecanamide
CID 19039287
N,N'-bis[3-(trifluoromethyl)phenyl]hexanediamide
CID 5058568
4-(2-aminophenoxy)-N-(3-hydroxyphenyl)butanamide
CID 84553820

Frequently Asked Questions

What is the IUPAC name of 6-(3-hydroxyphenoxy)-N-[2-(trifluoromethyl)-4-pyridinyl]hexanamide?
The IUPAC name of 6-(3-hydroxyphenoxy)-N-[2-(trifluoromethyl)-4-pyridinyl]hexanamide (CID 118730959) is 6-(3-hydroxyphenoxy)-N-[2-(trifluoromethyl)-4-pyridinyl]hexanamide.
What is the SMILES notation for 6-(3-hydroxyphenoxy)-N-[2-(trifluoromethyl)-4-pyridinyl]hexanamide?
The canonical SMILES for 6-(3-hydroxyphenoxy)-N-[2-(trifluoromethyl)-4-pyridinyl]hexanamide is O=C(CCCCCOc1cccc(O)c1)Nc1ccnc(C(F)(F)F)c1.
What is the InChIKey of 6-(3-hydroxyphenoxy)-N-[2-(trifluoromethyl)-4-pyridinyl]hexanamide?
The InChIKey is MBKRQUAZSTZGFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O3/c19-18(20,21)16-11-13(8-9-22-16)23-17(25)7-2-1-3-10-26-15-6-4-5-14(24)12-15/h4-6,8-9,11-12,24H,1-3,7,10H2,(H,22,23,25).
What are the key properties of 6-(3-hydroxyphenoxy)-N-[2-(trifluoromethyl)-4-pyridinyl]hexanamide?
6-(3-hydroxyphenoxy)-N-[2-(trifluoromethyl)-4-pyridinyl]hexanamide has a molecular weight of 368.36 g/mol, XLogP of 4.38, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-hydroxyphenoxy)-N-[2-(trifluoromethyl)-4-pyridinyl]hexanamide is sourced from PubChem (CID 118730959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).