4-[5-methyl-1-[4-[4-(trifluoromethyl)phenyl]phenoxy]hexyl]benzamide

C27H28F3NO2 — CID 141128231

IUPAC4-[5-methyl-1-[4-[4-(trifluoromethyl)phenyl]phenoxy]hexyl]benzamide
SMILESCC(C)CCCC(Oc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)c1ccc(C(N)=O)cc1
InChIInChI=1S/C27H28F3NO2/c1-18(2)4-3-5-25(21-6-8-22(9-7-21)26(31)32)33-24-16-12-20(13-17-24)19-10-14-23(15-11-19)27(28,29)30/h6-18,25H,3-5H2,1-2H3,(H2,31,32)
InChIKeyAUYUHELAGAOBOP-UHFFFAOYSA-N
MW455.52 g/mol
LogP7.42
Rot. Bonds9

About 4-[5-methyl-1-[4-[4-(trifluoromethyl)phenyl]phenoxy]hexyl]benzamide

4-[5-methyl-1-[4-[4-(trifluoromethyl)phenyl]phenoxy]hexyl]benzamide (PubChem CID 141128231) has the molecular formula C27H28F3NO2 and a molecular weight of 455.52 g/mol. Its IUPAC name is 4-[5-methyl-1-[4-[4-(trifluoromethyl)phenyl]phenoxy]hexyl]benzamide.

Molecular Properties

Compound Name4-[5-methyl-1-[4-[4-(trifluoromethyl)phenyl]phenoxy]hexyl]benzamide
PubChem CID141128231
Molecular FormulaC27H28F3NO2
Molecular Weight455.52 g/mol
Exact Mass455.21
IUPAC Name4-[5-methyl-1-[4-[4-(trifluoromethyl)phenyl]phenoxy]hexyl]benzamide
SMILESCC(C)CCCC(Oc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)c1ccc(C(N)=O)cc1
InChIInChI=1S/C27H28F3NO2/c1-18(2)4-3-5-25(21-6-8-22(9-7-21)26(31)32)33-24-16-12-20(13-17-24)19-10-14-23(15-11-19)27(28,29)30/h6-18,25H,3-5H2,1-2H3,(H2,31,32)
InChIKeyAUYUHELAGAOBOP-UHFFFAOYSA-N
XLogP7.42
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.52
LogP ≤ 57.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[1-[4-[4-(trifluoromethyl)phenyl]phenoxy]hexyl]benzamide
CID 141128251
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
4-[1-[(6-chloro-3-pyridinyl)oxy]-5-methylhexyl]benzamide
CID 141266511
2-methyl-3-[methyl-[4-[1-[4-[4-(trifluoromethyl)phenyl]phenyl]butoxy]benzoyl]amino]propanoic acid
CID 67488139
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]pentyl]benzoyl]amino]propanoate
CID 67153457
methyl 3-[[4-[1-[4-[4-(trifluoromethyl)phenyl]phenoxy]hexyl]benzoyl]amino]propanoate
CID 67153601
4-[4-(6-methylheptoxy)phenyl]benzamide
CID 58276365
4-[3-methyl-1-[4-[4-(trifluoromethyl)phenyl]anilino]butyl]benzamide
CID 141172180
4-[(1S)-1-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]heptoxy]benzoic acid
CID 67375362
(3S)-3-(4-fluorophenyl)-N-methyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;oxalic acid
CID 25016764

Frequently Asked Questions

What is the IUPAC name of 4-[5-methyl-1-[4-[4-(trifluoromethyl)phenyl]phenoxy]hexyl]benzamide?
The IUPAC name of 4-[5-methyl-1-[4-[4-(trifluoromethyl)phenyl]phenoxy]hexyl]benzamide (CID 141128231) is 4-[5-methyl-1-[4-[4-(trifluoromethyl)phenyl]phenoxy]hexyl]benzamide.
What is the SMILES notation for 4-[5-methyl-1-[4-[4-(trifluoromethyl)phenyl]phenoxy]hexyl]benzamide?
The canonical SMILES for 4-[5-methyl-1-[4-[4-(trifluoromethyl)phenyl]phenoxy]hexyl]benzamide is CC(C)CCCC(Oc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)c1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[5-methyl-1-[4-[4-(trifluoromethyl)phenyl]phenoxy]hexyl]benzamide?
The InChIKey is AUYUHELAGAOBOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28F3NO2/c1-18(2)4-3-5-25(21-6-8-22(9-7-21)26(31)32)33-24-16-12-20(13-17-24)19-10-14-23(15-11-19)27(28,29)30/h6-18,25H,3-5H2,1-2H3,(H2,31,32).
What are the key properties of 4-[5-methyl-1-[4-[4-(trifluoromethyl)phenyl]phenoxy]hexyl]benzamide?
4-[5-methyl-1-[4-[4-(trifluoromethyl)phenyl]phenoxy]hexyl]benzamide has a molecular weight of 455.52 g/mol, XLogP of 7.42, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-methyl-1-[4-[4-(trifluoromethyl)phenyl]phenoxy]hexyl]benzamide is sourced from PubChem (CID 141128231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).