4-[1-[4-[4-(trifluoromethyl)phenyl]phenoxy]hexyl]benzamide

C26H26F3NO2 — CID 141128251

IUPAC4-[1-[4-[4-(trifluoromethyl)phenyl]phenoxy]hexyl]benzamide
SMILESCCCCCC(Oc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)c1ccc(C(N)=O)cc1
InChIInChI=1S/C26H26F3NO2/c1-2-3-4-5-24(20-6-8-21(9-7-20)25(30)31)32-23-16-12-19(13-17-23)18-10-14-22(15-11-18)26(27,28)29/h6-17,24H,2-5H2,1H3,(H2,30,31)
InChIKeyLHJMRIQRLAGKKG-UHFFFAOYSA-N
MW441.49 g/mol
LogP7.17
Rot. Bonds9

About 4-[1-[4-[4-(trifluoromethyl)phenyl]phenoxy]hexyl]benzamide

4-[1-[4-[4-(trifluoromethyl)phenyl]phenoxy]hexyl]benzamide (PubChem CID 141128251) has the molecular formula C26H26F3NO2 and a molecular weight of 441.49 g/mol. Its IUPAC name is 4-[1-[4-[4-(trifluoromethyl)phenyl]phenoxy]hexyl]benzamide.

Molecular Properties

Compound Name4-[1-[4-[4-(trifluoromethyl)phenyl]phenoxy]hexyl]benzamide
PubChem CID141128251
Molecular FormulaC26H26F3NO2
Molecular Weight441.49 g/mol
Exact Mass441.19
IUPAC Name4-[1-[4-[4-(trifluoromethyl)phenyl]phenoxy]hexyl]benzamide
SMILESCCCCCC(Oc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)c1ccc(C(N)=O)cc1
InChIInChI=1S/C26H26F3NO2/c1-2-3-4-5-24(20-6-8-21(9-7-20)25(30)31)32-23-16-12-19(13-17-23)18-10-14-22(15-11-18)26(27,28)29/h6-17,24H,2-5H2,1H3,(H2,30,31)
InChIKeyLHJMRIQRLAGKKG-UHFFFAOYSA-N
XLogP7.17
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.49
LogP ≤ 57.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[5-methyl-1-[4-[4-(trifluoromethyl)phenyl]phenoxy]hexyl]benzamide
CID 141128231
4-[5,5,5-trifluoro-1-[4-[4-(trifluoromethyl)phenyl]phenoxy]pentyl]benzamide
CID 141128173
4-[4,4-dimethyl-1-[4-[4-(trifluoromethyl)phenyl]phenoxy]pentyl]benzamide
CID 141128357
5-oxo-5-[4-[1-[4-[4-(trifluoromethyl)phenyl]phenoxy]heptyl]phenyl]pentanoic acid
CID 58279747
methyl 3-[[4-[1-[4-[4-(trifluoromethyl)phenyl]phenoxy]hexyl]benzoyl]amino]propanoate
CID 67153601
4-[(1S)-1-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]heptoxy]benzoic acid
CID 67375362
methyl 3-[[4-[1-[4-[4-(trifluoromethyl)phenyl]phenoxy]pentyl]benzoyl]amino]propanoate
CID 67153457
4-[1-[4-(4-fluorophenyl)-3-methylphenoxy]heptyl]benzamide
CID 141128283
3-[[4-[1-[4-[4-(2-fluoropropan-2-yl)phenyl]phenoxy]heptyl]benzoyl]amino]propanoic acid
CID 143156979
2-methyl-3-[methyl-[4-[1-[4-[4-(trifluoromethyl)phenyl]phenyl]butoxy]benzoyl]amino]propanoic acid
CID 67488139
methyl 3-[[4-[1-[2-[4-(trifluoromethyl)phenyl]pyrimidin-5-yl]heptoxy]benzoyl]amino]propanoate
CID 67341106
3-[[4-[1-[[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]oxy]heptyl]benzoyl]amino]propanoic acid
CID 59518056

Frequently Asked Questions

What is the IUPAC name of 4-[1-[4-[4-(trifluoromethyl)phenyl]phenoxy]hexyl]benzamide?
The IUPAC name of 4-[1-[4-[4-(trifluoromethyl)phenyl]phenoxy]hexyl]benzamide (CID 141128251) is 4-[1-[4-[4-(trifluoromethyl)phenyl]phenoxy]hexyl]benzamide.
What is the SMILES notation for 4-[1-[4-[4-(trifluoromethyl)phenyl]phenoxy]hexyl]benzamide?
The canonical SMILES for 4-[1-[4-[4-(trifluoromethyl)phenyl]phenoxy]hexyl]benzamide is CCCCCC(Oc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)c1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[1-[4-[4-(trifluoromethyl)phenyl]phenoxy]hexyl]benzamide?
The InChIKey is LHJMRIQRLAGKKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F3NO2/c1-2-3-4-5-24(20-6-8-21(9-7-20)25(30)31)32-23-16-12-19(13-17-23)18-10-14-22(15-11-18)26(27,28)29/h6-17,24H,2-5H2,1H3,(H2,30,31).
What are the key properties of 4-[1-[4-[4-(trifluoromethyl)phenyl]phenoxy]hexyl]benzamide?
4-[1-[4-[4-(trifluoromethyl)phenyl]phenoxy]hexyl]benzamide has a molecular weight of 441.49 g/mol, XLogP of 7.17, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[4-[4-(trifluoromethyl)phenyl]phenoxy]hexyl]benzamide is sourced from PubChem (CID 141128251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).