N-[[4-(4-hydroxyphenyl)phenyl]methyl]-N-[3-(trifluoromethyl)phenyl]pentanamide

C25H24F3NO2 — CID 134537327

IUPACN-[[4-(4-hydroxyphenyl)phenyl]methyl]-N-[3-(trifluoromethyl)phenyl]pentanamide
SMILESCCCCC(=O)N(Cc1ccc(-c2ccc(O)cc2)cc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C25H24F3NO2/c1-2-3-7-24(31)29(22-6-4-5-21(16-22)25(26,27)28)17-18-8-10-19(11-9-18)20-12-14-23(30)15-13-20/h4-6,8-16,30H,2-3,7,17H2,1H3
InChIKeyQCONKVFUMCTNOT-UHFFFAOYSA-N
MW427.47 g/mol
LogP6.80
Rot. Bonds7

About N-[[4-(4-hydroxyphenyl)phenyl]methyl]-N-[3-(trifluoromethyl)phenyl]pentanamide

N-[[4-(4-hydroxyphenyl)phenyl]methyl]-N-[3-(trifluoromethyl)phenyl]pentanamide (PubChem CID 134537327) has the molecular formula C25H24F3NO2 and a molecular weight of 427.47 g/mol. Its IUPAC name is N-[[4-(4-hydroxyphenyl)phenyl]methyl]-N-[3-(trifluoromethyl)phenyl]pentanamide.

Molecular Properties

Compound NameN-[[4-(4-hydroxyphenyl)phenyl]methyl]-N-[3-(trifluoromethyl)phenyl]pentanamide
PubChem CID134537327
Molecular FormulaC25H24F3NO2
Molecular Weight427.47 g/mol
Exact Mass427.18
IUPAC NameN-[[4-(4-hydroxyphenyl)phenyl]methyl]-N-[3-(trifluoromethyl)phenyl]pentanamide
SMILESCCCCC(=O)N(Cc1ccc(-c2ccc(O)cc2)cc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C25H24F3NO2/c1-2-3-7-24(31)29(22-6-4-5-21(16-22)25(26,27)28)17-18-8-10-19(11-9-18)20-12-14-23(30)15-13-20/h4-6,8-16,30H,2-3,7,17H2,1H3
InChIKeyQCONKVFUMCTNOT-UHFFFAOYSA-N
XLogP6.80
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.47
LogP ≤ 56.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-hydroxyphenyl)phenyl]methyl]-N-[3-(trifluoromethyl)phenyl]pentanamide?
The IUPAC name of N-[[4-(4-hydroxyphenyl)phenyl]methyl]-N-[3-(trifluoromethyl)phenyl]pentanamide (CID 134537327) is N-[[4-(4-hydroxyphenyl)phenyl]methyl]-N-[3-(trifluoromethyl)phenyl]pentanamide.
What is the SMILES notation for N-[[4-(4-hydroxyphenyl)phenyl]methyl]-N-[3-(trifluoromethyl)phenyl]pentanamide?
The canonical SMILES for N-[[4-(4-hydroxyphenyl)phenyl]methyl]-N-[3-(trifluoromethyl)phenyl]pentanamide is CCCCC(=O)N(Cc1ccc(-c2ccc(O)cc2)cc1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[[4-(4-hydroxyphenyl)phenyl]methyl]-N-[3-(trifluoromethyl)phenyl]pentanamide?
The InChIKey is QCONKVFUMCTNOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F3NO2/c1-2-3-7-24(31)29(22-6-4-5-21(16-22)25(26,27)28)17-18-8-10-19(11-9-18)20-12-14-23(30)15-13-20/h4-6,8-16,30H,2-3,7,17H2,1H3.
What are the key properties of N-[[4-(4-hydroxyphenyl)phenyl]methyl]-N-[3-(trifluoromethyl)phenyl]pentanamide?
N-[[4-(4-hydroxyphenyl)phenyl]methyl]-N-[3-(trifluoromethyl)phenyl]pentanamide has a molecular weight of 427.47 g/mol, XLogP of 6.80, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-hydroxyphenyl)phenyl]methyl]-N-[3-(trifluoromethyl)phenyl]pentanamide is sourced from PubChem (CID 134537327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).