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

C26H26F3NO2 — CID 134537239

IUPACN-[[4-(4-methoxyphenyl)phenyl]methyl]-N-[3-(trifluoromethyl)phenyl]pentanamide
SMILESCCCCC(=O)N(Cc1ccc(-c2ccc(OC)cc2)cc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C26H26F3NO2/c1-3-4-8-25(31)30(23-7-5-6-22(17-23)26(27,28)29)18-19-9-11-20(12-10-19)21-13-15-24(32-2)16-14-21/h5-7,9-17H,3-4,8,18H2,1-2H3
InChIKeyJQUXUIWLJWOKQB-UHFFFAOYSA-N
MW441.49 g/mol
LogP7.10
Rot. Bonds8

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

N-[[4-(4-methoxyphenyl)phenyl]methyl]-N-[3-(trifluoromethyl)phenyl]pentanamide (PubChem CID 134537239) has the molecular formula C26H26F3NO2 and a molecular weight of 441.49 g/mol. Its IUPAC name is N-[[4-(4-methoxyphenyl)phenyl]methyl]-N-[3-(trifluoromethyl)phenyl]pentanamide.

Molecular Properties

Compound NameN-[[4-(4-methoxyphenyl)phenyl]methyl]-N-[3-(trifluoromethyl)phenyl]pentanamide
PubChem CID134537239
Molecular FormulaC26H26F3NO2
Molecular Weight441.49 g/mol
Exact Mass441.19
IUPAC NameN-[[4-(4-methoxyphenyl)phenyl]methyl]-N-[3-(trifluoromethyl)phenyl]pentanamide
SMILESCCCCC(=O)N(Cc1ccc(-c2ccc(OC)cc2)cc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C26H26F3NO2/c1-3-4-8-25(31)30(23-7-5-6-22(17-23)26(27,28)29)18-19-9-11-20(12-10-19)21-13-15-24(32-2)16-14-21/h5-7,9-17H,3-4,8,18H2,1-2H3
InChIKeyJQUXUIWLJWOKQB-UHFFFAOYSA-N
XLogP7.10
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.49
LogP ≤ 57.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-methoxyphenyl)phenyl]methyl]-N-[3-(trifluoromethyl)phenyl]pentanamide?
The IUPAC name of N-[[4-(4-methoxyphenyl)phenyl]methyl]-N-[3-(trifluoromethyl)phenyl]pentanamide (CID 134537239) is N-[[4-(4-methoxyphenyl)phenyl]methyl]-N-[3-(trifluoromethyl)phenyl]pentanamide.
What is the SMILES notation for N-[[4-(4-methoxyphenyl)phenyl]methyl]-N-[3-(trifluoromethyl)phenyl]pentanamide?
The canonical SMILES for N-[[4-(4-methoxyphenyl)phenyl]methyl]-N-[3-(trifluoromethyl)phenyl]pentanamide is CCCCC(=O)N(Cc1ccc(-c2ccc(OC)cc2)cc1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[[4-(4-methoxyphenyl)phenyl]methyl]-N-[3-(trifluoromethyl)phenyl]pentanamide?
The InChIKey is JQUXUIWLJWOKQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F3NO2/c1-3-4-8-25(31)30(23-7-5-6-22(17-23)26(27,28)29)18-19-9-11-20(12-10-19)21-13-15-24(32-2)16-14-21/h5-7,9-17H,3-4,8,18H2,1-2H3.
What are the key properties of N-[[4-(4-methoxyphenyl)phenyl]methyl]-N-[3-(trifluoromethyl)phenyl]pentanamide?
N-[[4-(4-methoxyphenyl)phenyl]methyl]-N-[3-(trifluoromethyl)phenyl]pentanamide has a molecular weight of 441.49 g/mol, XLogP of 7.10, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-methoxyphenyl)phenyl]methyl]-N-[3-(trifluoromethyl)phenyl]pentanamide is sourced from PubChem (CID 134537239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).