4-[5,5,5-trifluoro-1-[4-[4-(trifluoromethyl)phenyl]phenoxy]pentyl]benzamide

C25H21F6NO2 — CID 141128173

IUPAC4-[5,5,5-trifluoro-1-[4-[4-(trifluoromethyl)phenyl]phenoxy]pentyl]benzamide
SMILESNC(=O)c1ccc(C(CCCC(F)(F)F)Oc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)cc1
InChIInChI=1S/C25H21F6NO2/c26-24(27,28)15-1-2-22(18-3-5-19(6-4-18)23(32)33)34-21-13-9-17(10-14-21)16-7-11-20(12-8-16)25(29,30)31/h3-14,22H,1-2,15H2,(H2,32,33)
InChIKeySMSVXJRBPFLVNW-UHFFFAOYSA-N
MW481.44 g/mol
LogP7.32
Rot. Bonds8

About 4-[5,5,5-trifluoro-1-[4-[4-(trifluoromethyl)phenyl]phenoxy]pentyl]benzamide

4-[5,5,5-trifluoro-1-[4-[4-(trifluoromethyl)phenyl]phenoxy]pentyl]benzamide (PubChem CID 141128173) has the molecular formula C25H21F6NO2 and a molecular weight of 481.44 g/mol. Its IUPAC name is 4-[5,5,5-trifluoro-1-[4-[4-(trifluoromethyl)phenyl]phenoxy]pentyl]benzamide.

Molecular Properties

Compound Name4-[5,5,5-trifluoro-1-[4-[4-(trifluoromethyl)phenyl]phenoxy]pentyl]benzamide
PubChem CID141128173
Molecular FormulaC25H21F6NO2
Molecular Weight481.44 g/mol
Exact Mass481.15
IUPAC Name4-[5,5,5-trifluoro-1-[4-[4-(trifluoromethyl)phenyl]phenoxy]pentyl]benzamide
SMILESNC(=O)c1ccc(C(CCCC(F)(F)F)Oc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)cc1
InChIInChI=1S/C25H21F6NO2/c26-24(27,28)15-1-2-22(18-3-5-19(6-4-18)23(32)33)34-21-13-9-17(10-14-21)16-7-11-20(12-8-16)25(29,30)31/h3-14,22H,1-2,15H2,(H2,32,33)
InChIKeySMSVXJRBPFLVNW-UHFFFAOYSA-N
XLogP7.32
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.44
LogP ≤ 57.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[5,5,5-trifluoro-1-[4-[4-(trifluoromethyl)phenyl]phenoxy]pentyl]benzamide?
The IUPAC name of 4-[5,5,5-trifluoro-1-[4-[4-(trifluoromethyl)phenyl]phenoxy]pentyl]benzamide (CID 141128173) is 4-[5,5,5-trifluoro-1-[4-[4-(trifluoromethyl)phenyl]phenoxy]pentyl]benzamide.
What is the SMILES notation for 4-[5,5,5-trifluoro-1-[4-[4-(trifluoromethyl)phenyl]phenoxy]pentyl]benzamide?
The canonical SMILES for 4-[5,5,5-trifluoro-1-[4-[4-(trifluoromethyl)phenyl]phenoxy]pentyl]benzamide is NC(=O)c1ccc(C(CCCC(F)(F)F)Oc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)cc1.
What is the InChIKey of 4-[5,5,5-trifluoro-1-[4-[4-(trifluoromethyl)phenyl]phenoxy]pentyl]benzamide?
The InChIKey is SMSVXJRBPFLVNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F6NO2/c26-24(27,28)15-1-2-22(18-3-5-19(6-4-18)23(32)33)34-21-13-9-17(10-14-21)16-7-11-20(12-8-16)25(29,30)31/h3-14,22H,1-2,15H2,(H2,32,33).
What are the key properties of 4-[5,5,5-trifluoro-1-[4-[4-(trifluoromethyl)phenyl]phenoxy]pentyl]benzamide?
4-[5,5,5-trifluoro-1-[4-[4-(trifluoromethyl)phenyl]phenoxy]pentyl]benzamide has a molecular weight of 481.44 g/mol, XLogP of 7.32, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5,5,5-trifluoro-1-[4-[4-(trifluoromethyl)phenyl]phenoxy]pentyl]benzamide is sourced from PubChem (CID 141128173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).